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Raloxifene

AlkaPlorer ID: AK045766

Synonym: None

IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Structure

SMILES: O=C(C1=CC=C(OCCN2CCCCC2)C=C1)C1=C(C2=CC=C(O)C=C2)SC2=CC(O)=CC=C12

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InChI: InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2

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InChIKey: GZUITABIAKMVPG-UHFFFAOYSA-N

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Reference

PubChem CID: 5035

CAS: 82640-04-8

NPASS: NPC149571

COCONUT: CNP0385055

Source

Species Genus Family Order Class Phylum Kingdom Domain
Tetradium ruticarpum Tetradium Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 473.5940000000001

TPSA？: 70.0

MolLogP？: 6.075200000000007

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase IC50 nan None 10.1021/jf200485k
Bacillus anthracis Anthrax lethal factor Potency 5011.9 nM None
Bacillus anthracis Anthrax lethal factor Potency 12589.3 nM None
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Canis lupus familiaris Canis familiaris CL 40.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Canis lupus familiaris Canis familiaris F 5.0 % 10.1016/j.bmcl.2011.02.019
Canis lupus familiaris Collagen alpha-1(I) chain Activity nan None 10.1016/j.bmc.2015.12.045
Canis lupus familiaris Liver CL 26.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Canis lupus familiaris Liver CL 178.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Canis lupus familiaris Plasma Fu 0.003 None 10.1124/dmd.110.037457
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Homo sapiens 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Inhibition nan % 10.1021/acs.jmedchem.5b01696
Homo sapiens 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Ki 1.0 nM 10.1021/jm049073+
Homo sapiens Acetylcholinesterase IC50 400.0 nM None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 2111.0 nM None
Homo sapiens Adenosine A2a receptor Ki 1185.0 nM None
Homo sapiens Adenosine A3 receptor AC50 24640.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 501.2 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 1122.0 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 2511.9 nM None
Homo sapiens Aldehyde oxidase IC50 3.0 nM 10.1021/jm100888d
Homo sapiens Aldehyde oxidase IC50 5.7 nM 10.1016/j.ejmech.2019.111948
Homo sapiens Aldehyde oxidase IC50 8.0 nM 10.1021/jf200485k
Homo sapiens Aldehyde oxidase IC50 44.5 nM None
Homo sapiens Aldehyde oxidase Ki 0.87 nM 10.1021/acs.jmedchem.1c01125
Homo sapiens Aldehyde oxidase Ki 0.87 nM 10.1124/dmd.112.048546
Homo sapiens Aldehyde oxidase Ki 0.9 nM 10.1021/jm100888d
Homo sapiens Aldehyde oxidase Ki 2.3 nM 10.1124/dmd.112.048546
Homo sapiens Aldehyde oxidase Ki nan None 10.1124/dmd.112.048546
Homo sapiens Aldehyde oxidase Kii 0.007 uM 10.1021/acs.jmedchem.1c01125
Homo sapiens Aldehyde oxidase Ratio Ki nan None 10.1124/dmd.112.048546
Homo sapiens Alpha-1a adrenergic receptor AC50 13800.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 973.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 478.0 nM None
Homo sapiens Alpha-2a adrenergic receptor AC50 6380.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 1664.0 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 624.0 nM None
Homo sapiens Alpha-2b adrenergic receptor AC50 6000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 3698.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 1688.0 nM None
Homo sapiens Alpha-2c adrenergic receptor AC50 477.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 738.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 107.0 nM None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Arachidonate 15-lipoxygenase Potency 39810.7 nM None
Homo sapiens Ataxin-2 Potency 17782.8 nM None
Homo sapiens Ataxin-2 Potency 28183.8 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 16353.5 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 28183.8 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor AC50 9270.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Beta-glucocerebrosidase Potency 17782.8 nM None
Homo sapiens Bile acid receptor FXR IC50 11560.0 nM 10.1016/j.bmc.2013.04.069
Homo sapiens Bile acid receptor FXR Inhibition 71.4 % 10.1016/j.bmc.2013.04.069
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Breast carcinoma cell Activity 1.42 mm3 10.1016/j.ejmech.2021.113869
Homo sapiens Breast carcinoma cell Activity 1.66 mm3 10.1016/j.ejmech.2021.113869
Homo sapiens Breast carcinoma cell Activity 2.87 None 10.1016/j.ejmech.2021.113869
Homo sapiens Breast carcinoma cell Activity 3.09 None 10.1016/j.ejmech.2021.113869
Homo sapiens Breast carcinoma cell TIME 1344.0 hr 10.1016/j.ejmech.2021.113869
Homo sapiens Breast carcinoma cell TIME 2184.0 hr 10.1016/j.ejmech.2021.113869
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Cannabinoid CB1 receptor AC50 3941.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens Cellular tumor antigen p53 Potency 19952.6 nM None
Homo sapiens Cellular tumor antigen p53 Potency 25118.9 nM None
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 31622.8 nM None
Homo sapiens Complement C5 Activity 5.0 % 10.1016/j.bmc.2019.115052
Homo sapiens Complement C5 Activity nan None 10.1016/j.bmc.2019.115052
Homo sapiens Complement C5 Kd 710.0 nM 10.1016/j.bmc.2019.115052
Homo sapiens Complement C5 KSV 1.1 /M 10.1016/j.bmc.2019.115052
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 16850.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 AC50 6309.57 nM None
Homo sapiens Cytochrome P450 2C19 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C19 Potency 6309.6 nM None
Homo sapiens Cytochrome P450 2C19 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 2C9 AC50 25118.86 nM None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 2000.0 nM None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2C9 Potency 15.8 nM None
Homo sapiens Cytochrome P450 2C9 Potency 25118.9 nM None
Homo sapiens Cytochrome P450 2C9 Ratio IC50 2.0 None 10.1021/tx300075j
Homo sapiens Cytochrome P450 2D6 AC50 7943.28 nM None
Homo sapiens Cytochrome P450 2D6 AC50 25118.86 nM None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2D6 Potency 7943.3 nM None
Homo sapiens Cytochrome P450 2D6 Potency 25118.9 nM None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 1258.93 nM None
Homo sapiens Cytochrome P450 3A4 AC50 2511.89 nM None
Homo sapiens Cytochrome P450 3A4 Activity nan None 10.1124/dmd.111.038505
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1124/dmd.111.038208
Homo sapiens Cytochrome P450 3A4 Ki 9900.0 nM 10.1021/jm300065h
Homo sapiens Cytochrome P450 3A4 Ki 9900.0 nM 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Kinact 0.16 /min 10.1021/jm300065h
Homo sapiens Cytochrome P450 3A4 Kinact 0.16 min-1 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 Potency 1258.9 nM None
Homo sapiens Cytochrome P450 3A4 Potency 2511.9 nM None
Homo sapiens Cytochrome P450 3A4 Ratio IC50 2.0 None 10.1021/tx300075j
Homo sapiens Delta(24)-sterol reductase Inhibition nan % 10.1021/acs.jmedchem.5b01696
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 6644.0 nM None
Homo sapiens Delta opioid receptor Ki 2342.0 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor Activity -7.2 % 10.1021/jm400813y
Homo sapiens Dopamine D1 receptor IC50 3864.0 nM None
Homo sapiens Dopamine D1 receptor Inhibition 97.0 % 10.1021/jm400813y
Homo sapiens Dopamine D1 receptor Ki 1932.0 nM None
Homo sapiens Dopamine D1 receptor Potency 231.1 nM None
Homo sapiens Dopamine D2 receptor AC50 950.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor Activity 4.7 % 10.1021/jm400813y
Homo sapiens Dopamine D2 receptor IC50 1174.0 nM None
Homo sapiens Dopamine D2 receptor Inhibition 88.0 % 10.1021/jm400813y
Homo sapiens Dopamine D2 receptor Ki 391.0 nM None
Homo sapiens Dopamine D3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 1565.0 nM None
Homo sapiens Dopamine D3 receptor Ki 531.0 nM None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 5034.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 1869.0 nM None
Homo sapiens Dopamine transporter Ki 1485.0 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 2511.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 7943.3 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor Activity 22.0 % 10.1021/jm040858p
Homo sapiens Estrogen receptor Activity nan None 10.1021/jm060353u
Homo sapiens Estrogen receptor Agonist 0.0 % 10.1016/s0960-894x(03)00307-x
Homo sapiens Estrogen receptor Dose 0.2 nM 10.1016/0960-894X(95)00575-E
Homo sapiens Estrogen receptor EC50 nan nM 10.1016/s0960-894x(03)00307-x
Homo sapiens Estrogen receptor IC50 0.2 nM 10.1016/s0960-894x(03)00306-8
Homo sapiens Estrogen receptor IC50 0.2 nM 10.1016/S0960-894X(97)00130-3
Homo sapiens Estrogen receptor IC50 0.2 nM 10.1016/s0960-894x(99)00050-5
Homo sapiens Estrogen receptor IC50 0.2 nM 10.1021/jm9606352
Homo sapiens Estrogen receptor IC50 0.34 nM 10.1016/s0960-894x(99)00145-6
Homo sapiens Estrogen receptor IC50 0.8 nM 10.1016/j.bmcl.2004.10.036
Homo sapiens Estrogen receptor IC50 1.4 nM 10.1021/jm040858p
Homo sapiens Estrogen receptor IC50 4.0 nM 10.1016/j.bmcl.2004.02.084
Homo sapiens Estrogen receptor IC50 7.7 nM 10.1016/s0960-894x(01)00679-5
Homo sapiens Estrogen receptor IC50 23.0 nM 10.1021/jm060353u
Homo sapiens Estrogen receptor IC50 170.0 nM 10.1021/jm00083a019
Homo sapiens Estrogen receptor IC50 222.0 nM 10.1021/jm060353u
Homo sapiens Estrogen receptor Ratio 0.015 None 10.1016/s0960-894x(03)00307-x
Homo sapiens Estrogen receptor Ratio 0.05 None 10.1021/jm020291h
Homo sapiens Estrogen receptor Ratio 3.0 None 10.1016/j.bmcl.2005.05.089
Homo sapiens Estrogen receptor Ratio 7.0 None 10.1016/j.bmcl.2004.05.073
Homo sapiens Estrogen receptor Ratio 7.0 None 10.1016/j.bmcl.2004.10.036
Homo sapiens Estrogen receptor Ratio 12.0 None 10.1016/j.bmcl.2004.05.074
Homo sapiens Estrogen receptor Ratio 25.9 None 10.1016/j.bmcl.2004.12.074
Homo sapiens Estrogen receptor Ratio IC50 7.0 None 10.1016/j.bmcl.2005.08.084
Homo sapiens Estrogen receptor RBA 0.2 None 10.1016/S0960-894X(97)00142-X
Homo sapiens Estrogen receptor RBA 0.34 None 10.1016/0960-894X(95)00575-E
Homo sapiens Estrogen receptor RBA 0.34 None 10.1016/s0960-894x(99)00050-5
Homo sapiens Estrogen receptor RBA 0.34 None 10.1016/s0960-894x(99)00145-6
Homo sapiens Estrogen receptor RBA 0.34 None 10.1021/jm9606352
Homo sapiens Estrogen receptor RBA 0.34 None 10.1021/jm970688z
Homo sapiens Estrogen receptor RBA 1.0 None 10.1016/0960-894X(95)00575-E
Homo sapiens Estrogen receptor Relative binding affinity 0.34 None 10.1016/S0960-894X(97)00130-3
Homo sapiens Estrogen receptor Relative binding affinity 1.8 % 10.1021/jm00083a019
Homo sapiens Estrogen receptor Selectivity 7.0 None 10.1016/j.bmcl.2004.01.031
Homo sapiens Estrogen receptor Selectivity 7.0 None 10.1016/j.bmcl.2004.02.084
Homo sapiens Estrogen receptor alpha AC50 4.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 50.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha Activity nan None 10.1016/j.bmc.2016.04.068
Homo sapiens Estrogen receptor alpha Activity nan None 10.1016/j.bmc.2019.03.042
Homo sapiens Estrogen receptor alpha Activity nan None 10.1016/j.bmcl.2010.06.151
Homo sapiens Estrogen receptor alpha Activity nan None 10.1016/j.ejmech.2016.04.044
Homo sapiens Estrogen receptor alpha Activity nan None 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor alpha Activity nan None 10.1021/acs.jmedchem.8b01572
Homo sapiens Estrogen receptor alpha Activity nan None 10.1021/jm900146e
Homo sapiens Estrogen receptor alpha EC50 0.66 nM 10.1016/j.bmc.2019.03.042
Homo sapiens Estrogen receptor alpha EC50 22.0 nM 10.1021/jm015577l
Homo sapiens Estrogen receptor alpha EC50 22.0 nM 10.1021/jm8000373
Homo sapiens Estrogen receptor alpha EC50 nan None 10.1021/acs.jmedchem.5b01276
Homo sapiens Estrogen receptor alpha Efficacy 0.0 % 10.1021/acs.jmedchem.5b01276
Homo sapiens Estrogen receptor alpha Emax 42.0 % 10.1016/j.bmc.2019.03.042
Homo sapiens Estrogen receptor alpha IA nan None 10.1021/jm020291h
Homo sapiens Estrogen receptor alpha IC50 0.18 nM 10.1016/j.bmc.2019.03.042
Homo sapiens Estrogen receptor alpha IC50 0.3 nM 10.1016/j.bmcl.2010.06.151
Homo sapiens Estrogen receptor alpha IC50 0.46 nM 10.1021/np050457s
Homo sapiens Estrogen receptor alpha IC50 0.47 nM 10.1016/j.bmc.2016.04.068
Homo sapiens Estrogen receptor alpha IC50 0.553 nM None
Homo sapiens Estrogen receptor alpha IC50 0.7 nM 10.1021/jm020291h
Homo sapiens Estrogen receptor alpha IC50 0.72 nM 10.1021/jm010086m
Homo sapiens Estrogen receptor alpha IC50 0.73 nM 10.1016/j.bmcl.2004.12.074
Homo sapiens Estrogen receptor alpha IC50 0.74 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor alpha IC50 0.89 nM 10.1016/j.bmcl.2005.03.111
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/j.bmcl.2004.01.031
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/j.bmcl.2004.02.084
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/j.bmcl.2004.03.074
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/j.bmcl.2004.05.073
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/j.bmcl.2004.05.074
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/j.bmcl.2004.10.036
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/j.bmcl.2005.08.084
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1016/s0960-894x(02)00985-x
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1021/jm034243o
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1021/jm060353u
Homo sapiens Estrogen receptor alpha IC50 1.8 nM 10.1021/jm900146e
Homo sapiens Estrogen receptor alpha IC50 2.4 nM 10.1021/jm040858p
Homo sapiens Estrogen receptor alpha IC50 4.0 nM 10.1021/jm010086m
Homo sapiens Estrogen receptor alpha IC50 5.9 nM 10.1021/acs.jmedchem.0c01001
Homo sapiens Estrogen receptor alpha IC50 7.0 nM 10.1016/s0960-894x(03)00307-x
Homo sapiens Estrogen receptor alpha IC50 20.6 nM 10.1021/jm070079j
Homo sapiens Estrogen receptor alpha IC50 22.0 nM 10.1021/jm040858p
Homo sapiens Estrogen receptor alpha IC50 24.0 nM 10.1021/jm900146e
Homo sapiens Estrogen receptor alpha IC50 54.0 nM 10.1016/j.bmcl.2022.128668
Homo sapiens Estrogen receptor alpha IC50 56.0 nM 10.1016/j.bmcl.2010.06.151
Homo sapiens Estrogen receptor alpha IC50 100.0 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor alpha IC50 222.0 nM 10.1021/jm900146e
Homo sapiens Estrogen receptor alpha IC50 nan None 10.1016/j.bmc.2019.03.042
Homo sapiens Estrogen receptor alpha Inhibition 74.81 % 10.1016/j.bmc.2021.116395
Homo sapiens Estrogen receptor alpha Inhibition 74.81 % 10.1016/j.ejmech.2021.113543
Homo sapiens Estrogen receptor alpha Inhibition 113.0 % 10.1021/jm020291h
Homo sapiens Estrogen receptor alpha Inhibition nan % 10.1016/j.ejmech.2016.04.044
Homo sapiens Estrogen receptor alpha Ka 0.17 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor alpha Ki 0.03 nM 10.1021/jm050226i
Homo sapiens Estrogen receptor alpha Ki 0.158 nM None
Homo sapiens Estrogen receptor alpha Ki 0.22 nM 10.1016/s0960-894x(01)00321-3
Homo sapiens Estrogen receptor alpha Ki 0.37 nM 10.1021/ml2002532
Homo sapiens Estrogen receptor alpha Ki 0.38 nM 10.1021/ml2002532
Homo sapiens Estrogen receptor alpha Ki 0.4 nM 10.1016/s0960-894x(03)00306-8
Homo sapiens Estrogen receptor alpha Ki 0.43 nM 10.1016/j.bmc.2015.12.045
Homo sapiens Estrogen receptor alpha Ki 2.0 nM 10.1016/j.bmcl.2008.07.121
Homo sapiens Estrogen receptor alpha log(RBA) 2.08 None 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor alpha Ratio 83.0 None 10.1021/acs.jmedchem.8b01572
Homo sapiens Estrogen receptor alpha Ratio 155.0 None 10.1021/acs.jmedchem.8b01572
Homo sapiens Estrogen receptor alpha Ratio 157.0 None 10.1021/acs.jmedchem.8b01572
Homo sapiens Estrogen receptor alpha RBA 0.34 None 10.1016/j.ejmech.2012.02.021
Homo sapiens Estrogen receptor alpha RBA 0.91 None 10.1021/jm070079j
Homo sapiens Estrogen receptor alpha RBA 8.3 % 10.1016/j.bmcl.2022.128668
Homo sapiens Estrogen receptor alpha RBA 35.0 None 10.1016/j.bmcl.2004.04.081
Homo sapiens Estrogen receptor alpha RBA 64.0 % 10.1021/jm060353u
Homo sapiens Estrogen receptor alpha RBA 100.0 % 10.1021/acs.jmedchem.5b01276
Homo sapiens Estrogen receptor alpha Relative binding affinity 18.0 nM 10.1021/jm050226i
Homo sapiens Estrogen receptor alpha Transcriptional activation nan None 10.1021/jm015577l
Homo sapiens Estrogen receptor beta AC50 0.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta Activity nan None 10.1016/j.bmcl.2010.06.151
Homo sapiens Estrogen receptor beta EC50 260.0 nM 10.1021/jm015577l
Homo sapiens Estrogen receptor beta IA nan None 10.1021/jm020291h
Homo sapiens Estrogen receptor beta IC50 1.6 nM 10.1016/j.bmcl.2005.03.111
Homo sapiens Estrogen receptor beta IC50 1.9 nM 10.1016/j.bmcl.2005.05.089
Homo sapiens Estrogen receptor beta IC50 6.9 nM 10.1016/j.bmcl.2010.06.151
Homo sapiens Estrogen receptor beta IC50 8.2 nM 10.1021/jm060353u
Homo sapiens Estrogen receptor beta IC50 8.2 nM 10.1021/jm900146e
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/j.bmcl.2004.01.031
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/j.bmcl.2004.02.084
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/j.bmcl.2004.03.074
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/j.bmcl.2004.05.073
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/j.bmcl.2004.05.074
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/j.bmcl.2004.10.036
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/j.bmcl.2005.08.084
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1016/s0960-894x(02)00985-x
Homo sapiens Estrogen receptor beta IC50 12.0 nM 10.1021/jm034243o
Homo sapiens Estrogen receptor beta IC50 15.0 nM 10.1021/jm020291h
Homo sapiens Estrogen receptor beta IC50 18.9 nM 10.1016/j.bmcl.2004.12.074
Homo sapiens Estrogen receptor beta IC50 43.0 nM 10.1021/jm010086m
Homo sapiens Estrogen receptor beta IC50 260.0 nM 10.1021/jm040858p
Homo sapiens Estrogen receptor beta IC50 341.0 nM 10.1021/jm040858p
Homo sapiens Estrogen receptor beta IC50 470.0 nM 10.1016/s0960-894x(03)00307-x
Homo sapiens Estrogen receptor beta IC50 557.0 nM 10.1021/jm070079j
Homo sapiens Estrogen receptor beta IC50 577.0 nM 10.1016/j.bmcl.2010.06.151
Homo sapiens Estrogen receptor beta IC50 1420.0 nM 10.1016/j.bmcl.2022.128668
Homo sapiens Estrogen receptor beta IC50 7430.0 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Inhibition 120.0 % 10.1021/jm020291h
Homo sapiens Estrogen receptor beta Ka 41.24 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor beta Ki 2.74 nM 10.1021/ml2002532
Homo sapiens Estrogen receptor beta Ki 4.3 nM 10.1016/j.bmc.2015.12.045
Homo sapiens Estrogen receptor beta Ki 4.3 nM 10.1016/s0960-894x(03)00306-8
Homo sapiens Estrogen receptor beta Ki 4.5 nM 10.1021/jm050226i
Homo sapiens Estrogen receptor beta Ki 10.0 nM 10.1016/s0960-894x(01)00321-3
Homo sapiens Estrogen receptor beta Ki 23.0 nM 10.1016/j.bmcl.2008.07.121
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Estrogen receptor beta log(RBA) 0.08 None 10.1016/j.ejmech.2021.113869
Homo sapiens Estrogen receptor beta RBA 0.03 None 10.1021/jm070079j
Homo sapiens Estrogen receptor beta RBA 58.0 % 10.1021/jm060353u
Homo sapiens Estrogen receptor beta Relative binding affinity 4.0 nM 10.1021/jm050226i
Homo sapiens Estrogen receptor beta Transcriptional activation nan None 10.1021/jm015577l
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 33498.3 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens HEK293 Potency 23099.9 nM None
Homo sapiens HeLa EC50 nan None 10.1021/jm500873e
Homo sapiens HERG AC50 7890.1 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 8870.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition 4.11 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 38.5 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 7943.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 28183.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 37685.8 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 0.0 mL.min-1.kg-1 10.1124/dmd.112.045476
Homo sapiens Homo sapiens CL 14.7 mL.min-1.kg-1 10.1124/dmd.110.037457
Homo sapiens Homo sapiens CL 14.7 mL.min-1.kg-1 10.1124/dmd.112.045476
Homo sapiens Homo sapiens CL 21.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Homo sapiens Homo sapiens CL 735.0 mL.min-1.kg-1 10.1124/dmd.110.037457
Homo sapiens Homo sapiens CL/F 735.0 mL.min-1.kg-1 10.1124/dmd.112.045476
Homo sapiens Homo sapiens Decrease 40.0 % 10.1021/jm020450x
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 2.0 % 10.1016/j.bmc.2007.08.060
Homo sapiens Homo sapiens F 2.0 % 10.1016/j.bmcl.2011.02.019
Homo sapiens Homo sapiens F 2.0 % 10.1124/dmd.112.045476
Homo sapiens Homo sapiens Fa 0.02 None 10.1124/dmd.112.045476
Homo sapiens Homo sapiens Increase 2.4 % 10.1021/jm020450x
Homo sapiens Homo sapiens T1/2 36.9 hr 10.1124/dmd.110.037457
Homo sapiens Homo sapiens Vdss 47.0 L.kg-1 10.1124/dmd.110.037457
Homo sapiens HUVEC IC50 nan None 10.1016/j.ejmech.2018.10.045
Homo sapiens IL6Ralpha/GP130 Inhibition nan % 10.1021/jm401144z
Homo sapiens Indoleamine 2,3-dioxygenase IC50 nan None 10.1016/j.ejmech.2014.06.078
Homo sapiens Indoleamine 2,3-dioxygenase Inhibition 0.0 % 10.1016/j.ejmech.2014.06.078
Homo sapiens Interleukin-6 receptor subunit beta Activity nan None 10.1021/jm401144z
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Ishikawa Activity 50.0 uM 10.1016/j.ejmech.2018.10.045
Homo sapiens Ishikawa Activity nan None 10.1016/j.ejmech.2018.10.045
Homo sapiens Ishikawa EC50 0.04 nM 10.1016/s0960-894x(01)00679-5
Homo sapiens Ishikawa EC50 20000.0 nM 10.1021/jm500873e
Homo sapiens Ishikawa E max 15.0 % 10.1016/s0960-894x(01)00679-5
Homo sapiens Ishikawa IC50 0.94 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Ishikawa IC50 12390.0 nM 10.1016/j.ejmech.2021.113543
Homo sapiens Ishikawa IC50 24370.0 nM 10.1016/j.ejmech.2018.03.018
Homo sapiens Ishikawa IC50 28430.0 nM 10.1016/j.bmc.2021.116395
Homo sapiens Kappa opioid receptor AC50 1854.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 1602.0 nM None
Homo sapiens Kappa opioid receptor Ki 641.0 nM None
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens LIFR/GP130 Inhibition nan % 10.1021/jm401144z
Homo sapiens Liver microsomes Activity 791.0 pmol 10.1021/tx300075j
Homo sapiens Liver microsomes CL 24.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Homo sapiens Liver microsomes CL 79.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Homo sapiens Lysine-specific histone demethylase 1 IC50 2080.0 nM 10.1016/j.ejmech.2021.114042
Homo sapiens Lysine-specific histone demethylase 1 IC50 2080.0 nM 10.1016/j.ejmech.2022.114143
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF7 Activity 0.2 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Activity 8.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Activity 15.32 % 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 Activity 16.42 % 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 Activity 16.91 % 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 Activity 17.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Activity 25.15 % 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 Activity 41.9 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Activity 58.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Activity 59.53 % 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 Activity 66.67 % 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 Activity nan None 10.1016/j.bmc.2010.06.016
Homo sapiens MCF7 Activity nan None 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Activity nan None 10.1016/j.bmcl.2009.03.075
Homo sapiens MCF7 Activity nan None 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 Activity nan None 10.1021/acs.jmedchem.8b01572
Homo sapiens MCF7 EC50 23000.0 nM 10.1021/jm500873e
Homo sapiens MCF7 GI50 0.079 nM 10.1021/acs.jmedchem.8b01572
Homo sapiens MCF7 IC50 0.2 nM 10.1016/j.ejmech.2012.02.021
Homo sapiens MCF7 IC50 0.2 nM 10.1021/jm970688z
Homo sapiens MCF7 IC50 0.8 nM 10.1016/j.bmcl.2004.05.073
Homo sapiens MCF7 IC50 0.8 nM 10.1016/j.bmcl.2004.05.074
Homo sapiens MCF7 IC50 0.8 nM 10.1016/j.bmcl.2005.08.084
Homo sapiens MCF7 IC50 0.89 nM 10.1016/j.ejmech.2021.113869
Homo sapiens MCF7 IC50 4.9 nM 10.1016/j.bmcl.2004.04.081
Homo sapiens MCF7 IC50 5500.0 nM 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 IC50 12100.0 nM 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 IC50 12500.0 nM 10.1016/j.ejmech.2018.10.045
Homo sapiens MCF7 IC50 13180.0 nM 10.1016/j.ejmech.2018.03.018
Homo sapiens MCF7 IC50 15400.0 nM 10.1016/j.ejmech.2016.03.087
Homo sapiens MCF7 IC50 19940.0 nM 10.1016/j.ejmech.2021.113543
Homo sapiens MCF7 IC50 21930.0 nM 10.1016/j.bmc.2021.116395
Homo sapiens MCF7 IC50 50000.0 nM 10.1016/j.ejmech.2014.09.088
Homo sapiens MCF7 Imax 34.0 % 10.1021/acs.jmedchem.8b01572
Homo sapiens MCF7 Inhibition 10.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Inhibition 20.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Inhibition 33.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MCF7 Inhibition nan % 10.1021/np100920q
Homo sapiens MCF7 Stimulation -33.0 % 10.1016/s0960-894x(02)00613-3
Homo sapiens MCF7 Stimulation 94.0 % 10.1016/s0960-894x(02)00613-3
Homo sapiens MCF7 T/C 0.0 % 10.1016/j.bmc.2010.06.016
Homo sapiens MDA-MB-231 Activity 0.1 % 10.1016/j.bmc.2020.115957
Homo sapiens MDA-MB-231 Activity 9.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MDA-MB-231 Activity 28.3 % 10.1016/j.bmc.2020.115957
Homo sapiens MDA-MB-231 Activity 71.6 % 10.1016/j.bmc.2020.115957
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.bmc.2010.06.016
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.bmcl.2009.03.075
Homo sapiens MDA-MB-231 EC50 30000.0 nM 10.1021/jm500873e
Homo sapiens MDA-MB-231 GI nan None 10.1016/j.bmcl.2009.03.075
Homo sapiens MDA-MB-231 IC50 92.35 nM 10.1016/j.ejmech.2021.113869
Homo sapiens MDA-MB-231 IC50 7000.0 nM 10.1016/j.bmc.2020.115957
Homo sapiens MDA-MB-231 IC50 18500.0 nM 10.1016/j.bmc.2020.115957
Homo sapiens MDA-MB-231 IC50 18500.0 nM 10.1016/j.ejmech.2016.03.087
Homo sapiens MDA-MB-231 IC50 50000.0 nM 10.1016/j.ejmech.2021.113543
Homo sapiens MDA-MB-231 IC50 nan None 10.1016/j.bmc.2021.116395
Homo sapiens MDA-MB-231 Inhibition 9.0 % 10.1016/j.bmc.2020.115957
Homo sapiens MDA-MB-231 Inhibition 22.0 % 10.1016/j.bmc.2020.115957
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 14125.4 nM None
Homo sapiens Microtubule-associated protein tau Potency 12589.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 14125.4 nM None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 200000.0 nM 10.1016/j.ejmech.2022.114143
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Monoamine oxidase B IC50 200000.0 nM 10.1016/j.ejmech.2022.114143
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 37685.8 nM None
Homo sapiens MRC5 IC50 100.0 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Mu opioid receptor AC50 17000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 1176.0 nM None
Homo sapiens Mu opioid receptor Ki 477.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 3989.0 nM None
Homo sapiens Neurokinin 2 receptor Ki 1330.0 nM None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 472.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 282.0 nM None
Homo sapiens Norepinephrine transporter Ki 280.0 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 25929.0 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 12589.3 nM None
Homo sapiens PC-3 FC 1.06 None 10.1038/nchembio790
Homo sapiens Phosphodiesterase 3A AC50 8100.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Phospholipase D1 IC50 4000.0 nM 10.1038/nchembio.140
Homo sapiens Phospholipase D1 IC50 4300.0 nM 10.1038/nchembio.140
Homo sapiens Phospholipase D1 IC50 8500.0 nM 10.1038/nchembio.140
Homo sapiens Phospholipase D2 IC50 3400.0 nM 10.1038/nchembio.140
Homo sapiens Phospholipase D2 IC50 10000.0 nM 10.1038/nchembio.140
Homo sapiens Plasma Fu 0.002 None 10.1124/dmd.110.037457
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor EC50 11710.0 nM 10.1016/j.bmc.2013.04.069
Homo sapiens Pregnane X receptor max activation 81.5 % 10.1016/j.bmc.2013.04.069
Homo sapiens Prelamin-A/C Potency 354.8 nM None
Homo sapiens Progesterone receptor AC50 2720.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor IC50 100.0 nM 10.1016/j.ejmech.2021.113869
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 14689.2 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 23280.9 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 26121.6 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 669.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 26999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 1450.0 nM None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 414.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 170.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 355.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 69.0 nM 10.1021/jm100600y
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 226.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 1178.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 617.0 nM None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 750.0 nM 10.1021/jm2011657
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 2679.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 3576.0 nM None
Homo sapiens Serotonin transporter Ki 1900.0 nM None
Homo sapiens SH-SY5Y Potency 28183.8 nM None
Homo sapiens Sigma opioid receptor IC50 681.0 nM None
Homo sapiens Sigma opioid receptor Ki 38.0 nM 10.1021/jm049073+
Homo sapiens Sigma opioid receptor Ki 286.0 nM None
Homo sapiens Sodium channel protein type V alpha subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombopoietin Potency 15848.9 nM None
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Thyroid stimulating hormone receptor Potency 31622.8 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 3666.0 nM None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 12589.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 19952.6 nM None
Homo sapiens U2OS IC50 3.1 nM 10.1016/j.bmcl.2004.04.081
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 35481.3 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 5011.9 nM None
Homo sapiens UDP-glucuronosyltransferase 1-1 Activity nan None None
Homo sapiens UDP-glucuronosyltransferase 1-10 Activity nan None None
Homo sapiens UDP-glucuronosyltransferase 1-10 Drug metabolism nan None 10.1124/dmd.112.045476
Homo sapiens UDP-glucuronosyltransferase 1-8 Activity nan None None
Homo sapiens UDP-glucuronosyltransferase 1-8 Drug metabolism nan None 10.1124/dmd.112.045476
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Macaca fascicularis Aldehyde oxidase IC50 500.0 nM 10.1021/jm100888d
Macaca fascicularis Cynomolgus monkey F 5.0 % 10.1021/jm980048b
Macaca mulatta Plasma Fu 0.004 None 10.1124/dmd.110.037457
Marburgvirus Marburgvirus IC50 2200.0 nM 10.1021/acs.jmedchem.0c01001
Mus musculus 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase Inhibition nan % 10.1021/acs.jmedchem.5b01696
Mus musculus 4T1 TGI 70.0 % 10.1016/j.ejmech.2014.09.088
Mus musculus 4T1 TGI nan None 10.1016/j.ejmech.2014.09.088
Mus musculus Aldehyde oxidase IC50 500.0 nM 10.1021/jm100888d
Mus musculus CCRF S-180 TGI nan None 10.1016/j.ejmech.2014.09.088
Mus musculus Delta(24)-sterol reductase Inhibition nan % 10.1021/acs.jmedchem.5b01696
Mus musculus Estrogen receptor Agonist 118.0 % 10.1016/j.bmcl.2005.03.111
Mus musculus Estrogen receptor BMD 565.0 mg/cm3 10.1016/j.bmcl.2005.03.111
Mus musculus Estrogen receptor Bone mineral density 549.1 mg/cm3 10.1016/j.bmcl.2004.12.074
Mus musculus Estrogen receptor Wet weight 53.8 mg 10.1016/j.bmcl.2005.03.111
Mus musculus Estrogen receptor alpha Bone mineral density 386.2 mg/cm3 10.1016/j.bmcl.2004.12.074
Mus musculus Estrogen receptor alpha Bone mineral density 592.0 mg/cm3 10.1016/j.bmcl.2004.12.074
Mus musculus Estrogen receptor alpha Uterine weight 28.9 mg 10.1016/j.bmcl.2004.12.074
Mus musculus Estrogen receptor alpha Uterine weight 52.0 mg 10.1016/j.bmcl.2004.12.074
Mus musculus Estrogen receptor alpha Uterine weight 203.4 mg 10.1016/j.bmcl.2004.12.074
Mus musculus Liver CL 6.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Mus musculus Liver CL 66.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Mus musculus MG-22A IC50 6800.0 nM 10.1016/j.ejmech.2014.09.088
Mus musculus Mus musculus Activity 69.5 mg 10.1016/j.bmc.2007.05.071
Mus musculus Mus musculus Activity 100.0 % 10.1021/acs.jmedchem.9b00382
Mus musculus Mus musculus Activity 608.0 mg/cm3 10.1016/j.bmc.2007.05.071
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2020.127138
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.9b00382
Mus musculus Mus musculus CL 108.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Mus musculus Mus musculus F 10.0 % 10.1016/j.bmcl.2011.02.019
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 22387.2 nM None
Mus musculus Plasma Fu 0.006 None 10.1124/dmd.110.037457
Oryctolagus cuniculus Aldehyde oxidase IC50 1533000.0 nM 10.1021/jf200485k
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryctolagus cuniculus Oryctolagus cuniculus IC50 2000.0 nM 10.1016/s0960-894x(02)00613-3
Plasmodium falciparum Plasmodium falciparum Potency 1345.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 1694.4 nM None
Rattus norvegicus Aldehyde oxidase IC50 1100.0 nM 10.1021/jm100888d
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 2204.0 nM None
Rattus norvegicus Alpha-1a adrenergic receptor Ki 892.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 2693.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 1491.0 nM None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Bone Inhibition 38.0 % 10.1016/j.bmc.2011.07.056
Rattus norvegicus Bone T/C 0.62 None 10.1016/j.bmc.2011.07.056
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Estrogen receptor Activity 24.0 % 10.1016/j.bmcl.2004.10.036
Rattus norvegicus Estrogen receptor Activity 30.0 % 10.1016/j.bmcl.2005.01.046
Rattus norvegicus Estrogen receptor Activity 64.0 % 10.1016/j.bmcl.2005.01.046
Rattus norvegicus Estrogen receptor Activity 74.0 % 10.1016/j.bmcl.2005.01.046
Rattus norvegicus Estrogen receptor Activity 81.0 % 10.1016/j.bmcl.2004.10.036
Rattus norvegicus Estrogen receptor Activity nan None 10.1016/0960-894X(95)00575-E
Rattus norvegicus Estrogen receptor Efficacy 0.2 % 10.1016/0960-894X(95)00575-E
Rattus norvegicus Estrogen receptor IC50 1.85 nM 10.1021/jm980048b
Rattus norvegicus Estrogen receptor Inhibition 96.0 % 10.1016/j.bmcl.2004.01.031
Rattus norvegicus Estrogen receptor Inhibition 96.0 % 10.1016/j.bmcl.2004.02.084
Rattus norvegicus Estrogen receptor MED 0.1 mg kg-1 10.1021/jm970688z
Rattus norvegicus Estrogen receptor Reduction 49.0 % 10.1016/j.bmcl.2005.01.046
Rattus norvegicus Estrogen receptor Selectivity 67.0 None 10.1016/s0960-894x(02)00613-3
Rattus norvegicus Estrogen receptor Uterine activity 24.0 % 10.1016/j.bmcl.2004.05.073
Rattus norvegicus Estrogen receptor Uterine activity 24.0 % 10.1016/j.bmcl.2004.05.074
Rattus norvegicus Estrogen receptor Uterine activity 81.0 % 10.1016/j.bmcl.2004.05.073
Rattus norvegicus Estrogen receptor Uterine activity 81.0 % 10.1016/j.bmcl.2004.05.074
Rattus norvegicus Estrogen receptor Uterotrophic effect 155.0 None 10.1016/j.bmcl.2003.09.049
Rattus norvegicus Estrogen receptor alpha IC50 0.7 nM 10.1016/s0960-894x(02)00985-x
Rattus norvegicus Estrogen receptor alpha IC50 7.0 nM 10.1016/s0960-894x(02)00613-3
Rattus norvegicus Estrogen receptor beta IC50 3.4 nM 10.1016/s0960-894x(02)00985-x
Rattus norvegicus Estrogen receptor beta IC50 470.0 nM 10.1016/s0960-894x(02)00613-3
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 7279.1 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Liver microsomes CL 11.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Rattus norvegicus Liver microsomes CL 79.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 15848.9 nM None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Peripheral myelin protein 22 Potency 5102.8 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 19937.5 nM None
Rattus norvegicus Phospholipase D1 IC50 20000.0 nM 10.1038/nchembio.140
Rattus norvegicus Plasma Fu 0.004 None 10.1124/dmd.110.037457
Rattus norvegicus Rattus norvegicus Activity 0.76 mmol/L 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 1.16 micrometer/day 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 2.14 uM/day 10.1016/j.bmcl.2009.05.118
Rattus norvegicus Rattus norvegicus Activity 2.94 10'9/L 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 3.15 uM/day 10.1016/j.bmcl.2009.05.118
Rattus norvegicus Rattus norvegicus Activity 3.34 % 10.1016/j.bmcl.2009.05.118
Rattus norvegicus Rattus norvegicus Activity 6.52 % 10.1016/j.bmcl.2009.05.118
Rattus norvegicus Rattus norvegicus Activity 6.7 mg 10.1016/j.bmcl.2010.12.008
Rattus norvegicus Rattus norvegicus Activity 7.04 % 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 7.82 % 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 11.08 uM 10.1016/j.bmcl.2009.05.118
Rattus norvegicus Rattus norvegicus Activity 22.31 % 10.1016/j.bmcl.2009.05.118
Rattus norvegicus Rattus norvegicus Activity 24.0 % 10.1016/j.bmcl.2005.08.084
Rattus norvegicus Rattus norvegicus Activity 34.35 % 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 35.09 U/L 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 39.05 % 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 40.58 % 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity 42.3 mg 10.1016/j.bmcl.2010.12.008
Rattus norvegicus Rattus norvegicus Activity 81.0 % 10.1016/j.bmcl.2005.08.084
Rattus norvegicus Rattus norvegicus Activity 90.0 % 10.1007/s00044-009-9169-9
Rattus norvegicus Rattus norvegicus Activity 115.27 U/L 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2015.04.016
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2020.112465
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm900146e
Rattus norvegicus Rattus norvegicus ALB 39700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 44300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 45000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 45500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 46000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 46300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 266.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 301.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 303.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 305.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 372.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 374.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 379.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 386.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 398.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 411.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 433.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 536.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 36.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 42.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 48.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 53.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 56.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 57.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 62.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 63.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 67.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 76.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 134.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 158.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 71.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 77.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 83.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 84.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 90.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 92.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 94.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 96.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 104.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 105.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 119.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 80.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 86.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 90.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 100.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 103.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 106.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 113.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 135.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 145.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 148.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 97.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 98.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 260.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 363.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 376.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 410.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 453.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 476.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 526.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 688.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 703.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 713.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 758.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 198.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 226.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 245.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 268.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 298.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 300.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 332.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 345.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 402.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 405.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 411.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 576.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CL 58.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
Rattus norvegicus Rattus norvegicus CO2 28330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 28670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30170000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31830000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 33000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Decrease 44.9 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus Decrease 44.9 % 10.1021/jm970688z
Rattus norvegicus Rattus norvegicus Decrease 66.7 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus Decrease 66.7 % 10.1021/jm970688z
Rattus norvegicus Rattus norvegicus Decrease 74.0 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus ED50 0.2 mg.kg-1 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus ED50 0.2 mg.kg-1 10.1021/jm970688z
Rattus norvegicus Rattus norvegicus ED50 500.0 ug day-1 kg-1 10.1021/jm980048b
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 14.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 22.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 26.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 29.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 34.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 34.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 35.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 37.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 46.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 59.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus F 4.0 % 10.1016/j.bmcl.2011.02.019
Rattus norvegicus Rattus norvegicus GLUC 1425.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1436.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1443.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1478.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1513.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1570.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1656.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1683.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1690.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1701.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1705.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.32 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.62 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.9 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.77 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 131700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Increase 23.5 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus Inhibition 57.0 % 10.1007/s00044-009-9169-9
Rattus norvegicus Rattus norvegicus Inhibition 105.0 % 10.1021/jm900146e
Rattus norvegicus Rattus norvegicus LD50 255.0 mg.kg-1 10.1016/j.ejmech.2014.09.088
Rattus norvegicus Rattus norvegicus LDH 73.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 81.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 81.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 88.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 99.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 101.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 111.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 113.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 123.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 130.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 136.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 147.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 16.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 30.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 5494.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6738.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6955.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7173.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7440.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8049.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8594.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10004.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10639.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11144.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11213.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12283.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.47 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.5 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.8 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.95 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.07 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.17 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.32 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.65 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.87 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 378300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 382300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 382700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 384200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 384700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 386000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 388000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 389300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 398500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.97 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.13 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.33 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.4 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.95 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.28 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.32 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.53 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.58 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Mean uterine weight 28.9 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus Mean uterine weight 32.5 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus Mean uterine weight 35.4 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus Mean uterine weight 36.7 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus Mean uterine weight 42.2 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus Mean uterine weight 42.7 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus Mean uterine weight 48.6 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus Mean uterine weight 48.7 mg 10.1021/jm00374a021
Rattus norvegicus Rattus norvegicus MED 0.1 mg kg-1 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus MED 10.0 mg kg-1 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus MED 10.0 mg kg-1 10.1021/jm970688z
Rattus norvegicus Rattus norvegicus MONO 22.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 60.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 76.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 82.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 87.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 91.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 97.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 116.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 124.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 141.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 169.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 301.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 4.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 286.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 435.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 452.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 535.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 638.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 646.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 681.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 714.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 960.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 971.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 974.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1161.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 98.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 99.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 100.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 102.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 105.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 109.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 109.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 110.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 111.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 112.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 115.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 121.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1035330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1046330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1057000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1084000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1104000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1211330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1217000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1223000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1226670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1231500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1259000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1293000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 4.86 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.14 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.24 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.41 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.45 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.72 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.86 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.91 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 54300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 65000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 65300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 65700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 66500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Protection 9.6 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus Protection 50.0 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus Protection 53.8 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus Protection 57.7 % 10.1021/jm9606352
Rattus norvegicus Rattus norvegicus RBC 5080000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5340000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5360000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5420000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5440000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5500000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5530000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5620000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5760000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5790000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5870000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.17 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.67 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.62 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.92 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.43 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.48 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.9 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.57 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.63 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 5.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 6.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 6.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 7.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 7.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 10.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 6070.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7370.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7700.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8270.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8820.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9700.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11720.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11730.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12370.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 1861.0 nM None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki 846.0 nM None
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 18356.4 nM None
Saccharomyces cerevisiae S288c C-8 sterol isomerase Ki 66.0 nM 10.1021/jm049073+
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -0.42 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2342 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 13.99 % 10.6019/CHEMBL4495565
Trypanosoma brucei 6-phospho-1-fructokinase Potency 33807.8 nM None
Trypanosoma cruzi Cruzipain IC50 33000.0 nM 10.1021/jm100254w
Trypanosoma cruzi Cruzipain IC50 60000.0 nM 10.1021/jm901070c
Trypanosoma cruzi Cruzipain IC50 128000.0 nM 10.1021/jm100254w
Trypanosoma cruzi Cruzipain Potency 28183.8 nM None
Trypanosoma cruzi Trypanosoma cruzi EC50 10000.0 nM 10.1128/aac.01777-09
Zaire ebolavirus Zaire ebolavirus IC50 1240.0 nM 10.1021/acs.jmedchem.0c01001
None ADMET Activity nan None 10.1016/j.ejmech.2009.02.025
None ADMET Activity nan None 10.1016/j.ejmech.2021.113869
None ADMET Activity nan None 10.1021/acs.jmedchem.5b01276
None ADMET Activity nan None 10.1021/acs.jmedchem.5b01696
None ADMET Activity nan None 10.1021/acs.jmedchem.9b00382
None ADMET CL 5.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
None ADMET CL 6.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
None ADMET CL 8.9 mL.min-1.g-1 10.1124/dmd.112.045476
None ADMET CL 20.7 mL.min-1.g-1 10.1124/dmd.112.045476
None ADMET CL 21.0 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 22.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
None ADMET CL 30.0 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL 34.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
None ADMET CL 157.7 mL.min-1.kg-1 10.1021/jm040858p
None ADMET CL 346.0 mL.min-1.g-1 10.1016/j.bmcl.2011.02.019
None ADMET CL 2180.0 mL.min-1.g-1 10.1124/dmd.112.045476
None ADMET CL 2224.0 mL.min-1.g-1 10.1124/dmd.112.045476
None ADMET Cmax 3.7 nM None
None ADMET Cmax 7.5 nM 10.1021/jm040858p
None ADMET delta logD -0.9 None 10.1021/jm0000564
None ADMET Drug metabolism nan None 10.1021/acs.jmedchem.6b00598
None ADMET EC50 22000.0 nM 10.1128/aac.01777-09
None ADMET F 2.0 % 10.1021/jm020450x
None ADMET F 10.0 % 10.1021/jm980048b
None ADMET F 20.0 % 10.1021/jm0000564
None ADMET F 22.0 % 10.1021/jm040858p
None ADMET F 93.0 % 10.1016/j.ejmech.2021.113869
None ADMET F 96.0 % 10.1016/j.ejmech.2021.113869
None ADMET Fm 0.196 None 10.1124/dmd.110.037457
None ADMET Fm 0.214 None 10.1124/dmd.110.037457
None ADMET Fm 0.243 None 10.1124/dmd.110.037457
None ADMET Fm 0.38 None 10.1124/dmd.110.037457
None ADMET Fm 0.9 None 10.1124/dmd.110.037457
None ADMET IC50 7800.0 nM 10.1016/j.ejmech.2014.09.088
None ADMET PPB 1.84 % 10.1016/j.ejmech.2021.113869
None ADMET PPB 1.91 % 10.1016/j.ejmech.2021.113869
None ADMET PPB 95.0 % 10.1124/dmd.112.048546
None ADMET PPB 99.43 % 10.6019/CHEMBL3301361
None ADMET PPB 99.5 % 10.6019/CHEMBL3301361
None ADMET Ratio CC50/IC50 5.8 None 10.1016/j.bmc.2020.115957
None ADMET Vdss 17.6 L.kg-1 10.1021/jm040858p
None Fibroblast Activity nan None 10.1021/acs.jmedchem.5b01696
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2016.04.044
None NON-PROTEIN TARGET EC50 50000.0 nM 10.1021/jm500873e
None NON-PROTEIN TARGET Fu 0.43 None 10.1124/dmd.112.045476
None NON-PROTEIN TARGET Fu 0.98 None 10.1124/dmd.112.045476
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 1.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 16.7 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 26000.0 nM 10.1016/j.ejmech.2014.09.088
None NON-PROTEIN TARGET IC50 26300.0 nM 10.1021/jm401144z
None NON-PROTEIN TARGET IC50 27000.0 nM 10.1016/j.ejmech.2014.09.088
None NON-PROTEIN TARGET IC50 34000.0 nM 10.1016/j.ejmech.2014.09.088
None NON-PROTEIN TARGET IC50 37000.0 nM 10.1016/j.ejmech.2014.09.088
None NON-PROTEIN TARGET IC50 40000.0 nM 10.1016/j.ejmech.2016.03.087
None NON-PROTEIN TARGET IC50 43200.0 nM 10.1021/jm401144z
None NON-PROTEIN TARGET Inhibition nan % 10.1021/acs.jmedchem.5b01276
None NON-PROTEIN TARGET Potency 18821.2 nM None
None No relevant target Activity 20.0 uM 10.1021/jm100254w
None No relevant target Activity 192.2 nm 10.1021/jm100254w
None No relevant target LogD 1.08 None 10.1021/jm0000564
None No relevant target LogD 2.37 None 10.1016/j.ejmech.2021.113869
None No relevant target LogD7.4 4.13 None 10.6019/CHEMBL3301361
None No relevant target Papp 3.0 ucm/s 10.1124/dmd.112.045476
None No relevant target pKa 9.0 None 10.1021/jm0000564
None No relevant target Solubility 9100.0 nM 10.6019/CHEMBL3301361
None No relevant target Solubility 50000.0 nM 10.1016/j.ejmech.2014.06.078
None Nucleic Acid Ratio 1.0 None 10.1124/dmd.112.045476
None Nucleic Acid Rblood_plasma 0.93 None 10.1124/dmd.110.037457
None Nucleic Acid Rblood_plasma 1.05 None 10.1124/dmd.110.037457
None Nucleic Acid Rblood_plasma 1.11 None 10.1124/dmd.110.037457
None Nucleic Acid Rblood_plasma 1.36 None 10.1124/dmd.110.037457
None Unchecked Activity -231.7 % 10.1016/j.bmc.2015.12.045
None Unchecked Activity -206.8 % 10.1016/j.bmc.2015.12.045
None Unchecked Activity -206.1 % 10.1016/j.bmc.2015.12.045
None Unchecked Activity 16.0 % 10.1016/j.bmc.2015.12.045
None Unchecked Activity 54.2 % 10.1016/j.bmc.2015.12.045
None Unchecked Activity 99.0 % 10.1016/j.bmc.2015.12.045
None Unchecked Activity 103.6 % 10.1016/j.bmc.2015.12.045
None Unchecked Activity nan None 10.1016/j.bmc.2015.12.045
None Unchecked Activity nan None 10.1016/j.bmc.2020.115957
None Unchecked Activity nan None 10.1016/j.ejmech.2009.02.025
None Unchecked Activity nan None 10.1016/j.ejmech.2021.113869
None Unchecked CC50 31800.0 nM 10.1016/j.bmc.2020.115957
None Unchecked CC50 69800.0 nM 10.1016/j.bmc.2020.115957
None Unchecked Emax 69.0 % 10.1021/acs.jmedchem.9b01580
None Unchecked Emax nan None 10.1021/acs.jmedchem.9b01580
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 2.399 nM 10.1021/acs.jmedchem.9b01580
None Unchecked IC50 148.0 nM None
None Unchecked IC50 385.0 nM None
None Unchecked IC50 388.0 nM None
None Unchecked IC50 414.0 nM None
None Unchecked IC50 447.0 nM None
None Unchecked IC50 527.0 nM None
None Unchecked IC50 5000.0 nM 10.1021/jm901070c
None Unchecked IC50 1000000.0 nM 10.1021/jf200485k
None Unchecked IC50 nan None None
None Unchecked Increase 2.4 % 10.1021/jm020450x
None Unchecked Inhibition 6.0 % 10.1021/jm00083a019
None Unchecked Inhibition 100.0 % 10.1016/j.bmc.2020.115957
None Unchecked Inhibition nan % 10.1021/jm401144z
None Unchecked Ki 144.0 nM None
None Unchecked Ki 237.0 nM None
None Unchecked Ki 249.0 nM None
None Unchecked Ki 368.0 nM None
None Unchecked Ki 480.0 nM None
None Unchecked Ki nan None None
None Unchecked pIC50 nan None 10.1021/acs.jmedchem.9b01580
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 9196.2 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Potency 36125.4 nM None
None Unchecked Ratio 30.0 None 10.1021/jm070079j
None Unchecked Ratio CC50/IC50 11.0 None 10.1021/acs.jmedchem.0c01001
None Unchecked Ratio CC50/IC50 19.0 None 10.1021/acs.jmedchem.0c01001
None Unchecked Ratio EC50 2.2 None 10.1128/aac.01777-09
None Unchecked Ratio IC50 1.3 None 10.1016/j.bmc.2020.115957
None Unchecked Ratio IC50 1.5 None 10.1016/j.bmc.2020.115957
None Unchecked Ratio IC50 26.3 None 10.1016/j.bmcl.2022.128668
None Unchecked Ratio IC50 84.0 None 10.1016/j.bmcl.2010.06.151
None Unchecked Ratio IC50 103.76 None 10.1016/j.ejmech.2021.113869
None Unchecked Ratio IC50 185.0 None 10.1016/j.bmcl.2010.06.151
None Unchecked Ratio Ki 7.4 None 10.1021/ml2002532

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023483 O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(OS(=O)(=O)O)ccc12>>O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 enzymemap_58011