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name Structure Reference Source Properties Activities Metabolism

1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione

AlkaPlorer ID: AK072922

Synonym: None

IUPAC Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione

Structure

SMILES: O=C1C2=C(O)C=CC(O)=C2C(=O)C2=C1C(NCCNCCO)=CC=C2NCCNCCO

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InChI: InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2

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InChIKey: KKZJGLLVHKMTCM-UHFFFAOYSA-N

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Reference

PubChem CID: 4212

CAS: 65271-80-9

NPASS: NPC478816

COCONUT: CNP0337801

Source

Species Genus Family Order Class Phylum Kingdom Domain
Isodon xerophilus Isodon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 444.48800000000017

TPSA？: 163.17999999999998

MolLogP？: -0.1392000000000003

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis (strain 168) DNA polymerase III Potency 1500.3 nM None
Bos taurus Calf thymus DNA C50 0.021 uM 10.1021/jm970114u
Bos taurus Calf thymus DNA C50 0.037 uM 10.1021/jm011004x
Bos taurus Calf thymus DNA C50 0.037 uM 10.1021/jm970114u
Bos taurus Calf thymus DNA Delta Tm 15.9 degrees C 10.1016/j.bmcl.2004.07.036
Bos taurus Calf thymus DNA EC50 400.0 nM 10.1016/s0960-894x(02)00218-4
Bos taurus Calf thymus DNA EC50 3400.0 nM 10.1021/jm011117g
Bos taurus Calf thymus DNA Ka 1.0 10'6/M 10.1021/acs.jmedchem.5b00859
Bos taurus Calf thymus DNA K app 1.9e-06 None 10.1021/jm9805586
Bos taurus Calf thymus DNA K app 34.0 10e-7/M 10.1021/jm049706k
Bos taurus Calf thymus DNA Q 0.34 uM 10.1021/jm970114u
Bos taurus Calf thymus DNA Ratio 0.0 None 10.1016/j.bmc.2010.04.074
Bos taurus Calf thymus DNA Ratio 0.0 None 10.1016/j.ejmech.2010.08.061
Bos taurus DNA Activity nan None 10.1016/j.bmcl.2013.01.022
Bos taurus DNA Delta Tm 18.4 degrees C 10.1016/j.bmc.2008.01.033
Bos taurus DNA Delta Tm 25.3 degrees C 10.1016/j.bmc.2007.10.012
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
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
Cricetulus griseus XRS6 IC50 10.0 nM 10.1021/jm00022a016
Drosophila melanogaster DNA topoisomerase II IC90 56000.0 nM 10.1021/jm00022a016
Equus caballus Ferritin light chain Potency 11220.2 nM None
Escherichia coli Escherichia coli Activity nan None 10.1016/j.bmc.2009.05.070
Escherichia coli Escherichia coli MIC 8.4 ug.mL-1 10.1016/j.bmc.2009.05.070
Homo sapiens 2008 IC50 7.8 nM 10.1021/acs.jmedchem.9b00963
Homo sapiens 786-0 GI50 10.0 nM None
Homo sapiens 7,8-dihydro-8-oxoguanine triphosphatase Inhibition nan % 10.1021/acsmedchemlett.9b00420
Homo sapiens 78 kDa glucose-regulated protein Potency 2328.1 nM None
Homo sapiens A2780 IC50 0.55 nM 10.1021/jm970114u
Homo sapiens A2780 IC50 0.55 nM 10.1021/jm9801105
Homo sapiens A2780 IC50 6.11 nM 10.1021/jm980682p
Homo sapiens A2780 IC50 25.1 nM 10.1021/jm980682p
Homo sapiens A2780 IC50 5500.0 nM 10.1016/0960-894X(96)00130-8
Homo sapiens A-375 IC50 26.0 nM 10.1021/jm00003a015
Homo sapiens A-375 IC50 111.5 nM 10.1016/j.ejmech.2019.03.051
Homo sapiens A498 GI50 112.46 nM None
Homo sapiens A549 GI50 10.0 nM None
Homo sapiens A549 GI50 8300.0 nM 10.1016/j.bmcl.2010.01.096
Homo sapiens A549 IC50 0.036 nM 10.1021/acs.jnatprod.8b00482
Homo sapiens A549 IC50 3.1 nM 10.1021/jm950742g
Homo sapiens A549 IC50 3.1 nM 10.1021/jm960623g
Homo sapiens A549 IC50 15.7 ug.mL-1 10.1016/j.ejmech.2015.11.002
Homo sapiens A549 IC50 25.3 ug.mL-1 10.1007/s00044-012-0325-2
Homo sapiens A549 IC50 70.0 nM 10.1016/j.bmcl.2022.128919
Homo sapiens A549 IC50 300.0 nM 10.1016/s0960-894x(02)00218-4
Homo sapiens A549 IC50 300.0 nM 10.1021/jm011117g
Homo sapiens A549 IC50 7250.0 nM 10.1016/j.ejmech.2019.01.028
Homo sapiens A549 IC50 7800.0 nM 10.1016/j.bmc.2011.03.009
Homo sapiens A549 IC50 7800.0 nM 10.1016/j.bmcl.2011.03.089
Homo sapiens A549 IC50 7830.0 nM 10.1016/j.bmcl.2011.01.072
Homo sapiens A549 IC50 8000.0 nM 10.1016/j.bmcl.2009.06.097
Homo sapiens A549 Inhibition 67.3 % 10.1007/s00044-012-0325-2
Homo sapiens A549 Inhibition nan % 10.1007/s00044-012-0325-2
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN GI50 10.0 nM 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 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 30000.0 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 Alpha-1a adrenergic receptor AC50 7121.5 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 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Amyloid-beta A4 protein Potency 23109.3 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 3162.3 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 12589.3 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 3162.3 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 12589.3 nM None
Homo sapiens Ataxin-2 Potency 316.2 nM None
Homo sapiens Ataxin-2 Potency 2993.5 nM None
Homo sapiens Ataxin-2 Potency 10000.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 4609.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 32629.4 nM None
Homo sapiens ATP-binding cassette sub-family G member 2 Activity 50.0 % None
Homo sapiens ATP-binding cassette sub-family G member 2 Activity 100.0 % 10.1016/j.bmc.2007.10.006
Homo sapiens ATP-binding cassette sub-family G member 2 Activity 439.2 % 10.1016/j.bmc.2007.10.006
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1002/ijc.11484
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1038/nrd3028
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1124/mol.63.1.65
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1124/mol.64.3.610
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1124/mol.64.6.1452
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1242/jcs.113.11.2011
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None None
Homo sapiens ATP-binding cassette sub-family G member 2 IC50 903.8 nM 10.1021/acs.jmedchem.9b00963
Homo sapiens ATP-binding cassette sub-family G member 2 Kact 7.0 uM 10.1006/bbrc.2001.5130
Homo sapiens ATP-binding cassette sub-family G member 2 Ratio IC50 15.33 None 10.1016/j.bmcl.2011.08.070
Homo sapiens ATP-dependent DNA helicase Q1 Potency 12589.3 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 28183.8 nM None
Homo sapiens Bel-7402 IC50 116.6 nM 10.1016/j.ejmech.2019.03.051
Homo sapiens Bel-7402 IC90 1300.0 nM 10.1016/j.ejmech.2019.03.051
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 30000.0 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 Bloom syndrome protein Potency 1358.0 nM None
Homo sapiens Bloom syndrome protein Potency 14125.4 nM None
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 BT-549 GI50 104.23 nM None
Homo sapiens Caco-2 Activity 0.91 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 2.49 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 3.34 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 6.07 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 15.4 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 19.4 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 22.1 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 27.8 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 36.0 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 42.0 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 50.7 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity 73.6 % 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 Activity nan None 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 IC50 1400.0 nM 10.1016/j.ejmech.2017.11.101
Homo sapiens Caco-2 IC50 10000.0 nM 10.1016/j.ejmech.2017.11.101
Homo sapiens CAKI-1 GI50 13.37 nM None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 175.0 % 10.1021/jm7015683
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity nan None 10.1038/nrd3028
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 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 Casein kinase 2 IC50 660.0 nM 10.1021/jm400045y
Homo sapiens Casein kinase II alpha (prime) Activity 81.8 % 10.1021/jm400045y
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 CCD 19Lu IC50 160.0 nM 10.1039/C6MD00643D
Homo sapiens CCRF-CEM GI50 10.0 nM None
Homo sapiens CCRF-CEM IC50 36.0 nM 10.1021/jm300515q
Homo sapiens CCRF-CEM IC50 3600.0 nM 10.1021/jm030253d
Homo sapiens CCRF-CEM Ratio IC50 2.0 None 10.1021/jm200764t
Homo sapiens CCRF-CEM Ratio IC50 2.3 None 10.1021/jm300515q
Homo sapiens CCRF-CEM Ratio IC50 3.0 None 10.1021/jm300515q
Homo sapiens CCRF-CEM Ratio IC50 30.0 None 10.1021/jm300515q
Homo sapiens Cellular tumor antigen p53 Potency 1995.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 5011.9 nM None
Homo sapiens Cellular tumor antigen p53 Potency 7943.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 15848.9 nM None
Homo sapiens Cerebroside-sulfatase Potency 23934.1 nM None
Homo sapiens CH1 IC50 2.65 nM 10.1021/jm970114u
Homo sapiens CH1 IC50 2.65 nM 10.1021/jm9801105
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 5623.4 nM None
Homo sapiens Chromobox protein homolog 1 Potency 25118.9 nM None
Homo sapiens COLO 205 GI50 134.59 nM None
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 1300.0 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 12589.25 nM None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
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 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 76300.0 nM 10.1021/jm049934e
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2D6 Potency 39810.7 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 nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 25118.9 nM None
Homo sapiens Daudi IC50 5.0 nM 10.1016/j.bmcl.2015.04.093
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA polymerase eta Potency 3162.3 nM None
Homo sapiens DNA polymerase eta Potency 19011.5 nM None
Homo sapiens DNA polymerase iota Potency 2993.5 nM None
Homo sapiens DNA polymerase iota Potency 11220.2 nM None
Homo sapiens DNA polymerase kappa Potency 1337.1 nM None
Homo sapiens DNA polymerase kappa Potency 2377.8 nM None
Homo sapiens DNA polymerase kappa Potency 2667.9 nM None
Homo sapiens DNA polymerase kappa Potency 25118.9 nM None
Homo sapiens DNA repair protein RAD52 homolog AC50 244.0 nM None
Homo sapiens DNA topoisomerase II IC90 1100.0 nM 10.1021/jm00022a016
Homo sapiens DNA topoisomerase II IC90 1100.0 nM 10.1021/jm00048a017
Homo sapiens DNA topoisomerase II alpha IC50 5300.0 nM 10.1016/j.bmc.2008.01.033
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor Activity 66.0 % 10.1021/jm400813y
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Inhibition 29.0 % 10.1021/jm400813y
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D1 receptor Potency 5173.5 nM None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor Activity -0.4 % 10.1021/jm400813y
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Inhibition 81.0 % 10.1021/jm400813y
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 29999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens DU-145 GI50 22.49 nM None
Homo sapiens DU-145 IC50 5.6 nM 10.1021/jm980682p
Homo sapiens EKVX GI50 1279.38 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 5385.9 nM 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 alpha AC50 23340.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Flap endonuclease 1 Potency 1345.9 nM None
Homo sapiens Flap endonuclease 1 Potency 2818.4 nM None
Homo sapiens Flap endonuclease 1 Potency 2993.5 nM None
Homo sapiens G-361 IC50 0.65 nM 10.1021/jm970114u
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon-like peptide 1 receptor Potency 7079.5 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 35481.3 nM None
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 Glutaminase kidney isoform, mitochondrial Potency 5623.4 nM None
Homo sapiens Glycoprotein hormones alpha chain Potency 1122.0 nM None
Homo sapiens GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 Potency 31622.8 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 22387.2 nM None
Homo sapiens HaCaT IC50 3900.0 nM 10.1021/acs.jnatprod.5b00768
Homo sapiens HCC 2998 GI50 87.7 nM None
Homo sapiens HCC78 Activity 0.048 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 0.076 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 0.089 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 16.4 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 16.9 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 17.2 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 18.6 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 18.7 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 19.7 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 63.8 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 66.6 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity 66.7 % 10.1039/C6MD00643D
Homo sapiens HCC78 Activity nan None 10.1039/C6MD00643D
Homo sapiens HCC78 IC50 13.83 nM 10.1039/C6MD00643D
Homo sapiens HCT-116 GI 53.22 % 10.1007/s00044-013-0805-z
Homo sapiens HCT-116 GI50 37.33 nM None
Homo sapiens HCT-116 IC50 5.8 nM 10.1021/jm049706k
Homo sapiens HCT-116 IC50 22.0 nM 10.1016/j.bmcl.2011.03.021
Homo sapiens HCT-116 IC50 25.0 nM 10.1016/j.bmcl.2015.04.093
Homo sapiens HCT-116 IC50 1610.0 nM 10.1016/j.ejmech.2018.01.074
Homo sapiens HCT-116 IC50 3960.0 nM 10.1016/j.bmcl.2010.09.074
Homo sapiens HCT-116 IC50 7200.0 nM 10.1016/j.bmc.2011.03.009
Homo sapiens HCT-116 IC50 7200.0 nM 10.1016/j.bmcl.2011.03.089
Homo sapiens HCT-116 IC50 nan nM 10.1021/jm00048a017
Homo sapiens HCT-15 GI50 133.35 nM None
Homo sapiens HEK293 Activity nan None None
Homo sapiens HEK293 IC50 10.0 nM 10.1021/jm401879z
Homo sapiens HEK293 IC50 11.7 nM 10.1021/acs.jmedchem.9b00963
Homo sapiens HEK293 IC50 26.6 nM 10.1021/jm401879z
Homo sapiens HEK293 IG50 0.009 uM 10.1021/jm500943z
Homo sapiens HEK293 Potency 65.1 nM None
Homo sapiens HEK293 Potency 501.2 nM None
Homo sapiens HeLa AC50 4075.0 nM None
Homo sapiens HeLa Activity 1.0 uM 10.1021/acs.jmedchem.1c00154
Homo sapiens HeLa EC50 0.55 ug.mL-1 10.1021/jm00118a015
Homo sapiens HeLa IC50 40.0 nM 10.1016/j.bmcl.2022.128919
Homo sapiens HeLa IC50 44.0 nM 10.1016/j.bmcl.2015.04.093
Homo sapiens HeLa IC50 100.0 nM 10.1021/jm800160v
Homo sapiens HeLa IC50 2350.0 nM 10.1016/j.ejmech.2018.01.074
Homo sapiens HeLa ID50 2.77 uM 10.1016/S0960-894X(00)80385-6
Homo sapiens HepG2 GI 62.73 % 10.1007/s00044-013-0805-z
Homo sapiens HepG2 IC50 11050.0 nM 10.1016/j.bmc.2014.03.045
Homo sapiens HepG2 IC50 15330.0 nM 10.1016/j.bmc.2020.115868
Homo sapiens HepG2 IC50 18600.0 nM 10.1016/j.ejmech.2018.01.074
Homo sapiens HepG2 IC50 relative 800.0 nM 10.6019/EOS300108
Homo sapiens HepG2 Inhibition 41.2 % 10.1016/j.ejmech.2016.04.031
Homo sapiens HepG2 Inhibition 78.6 % 10.1016/j.ejmech.2016.04.031
Homo sapiens HepG2 Potency 7079.5 nM None
Homo sapiens HERG AC50 41269.6 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 3584.9 nM None
Homo sapiens HERG Ki 2937.0 nM None
Homo sapiens Histamine H1 receptor AC50 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 11727.6 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 acetyltransferase GCN5 Potency 25118.9 nM None
Homo sapiens Histone deacetylase 6 Inhibition 15.97 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 28.59 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 3981.1 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 8436.8 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 12589.3 nM None
Homo sapiens Histone-lysine N-methyltransferase NSD2 AC50 2340.0 nM None
Homo sapiens HL-60 GI50 0.192 ug.mL-1 10.1021/jm9005059
Homo sapiens HL-60 GI50 0.33 nM 10.1016/j.bmc.2007.10.012
Homo sapiens HL-60 GI50 10.0 nM 10.1016/j.bmc.2007.03.067
Homo sapiens HL-60 GI50 10.0 nM None
Homo sapiens HL-60 GI50 7800.0 nM 10.1016/j.bmcl.2010.01.096
Homo sapiens HL-60 IC50 0.024 nM 10.1021/acs.jnatprod.8b00482
Homo sapiens HL-60 IC50 0.29 ug.mL-1 10.1021/np9903705
Homo sapiens HL-60 IC50 0.81 nM 10.1021/jm980682p
Homo sapiens HL-60 IC50 2.5 nM 10.1016/j.bmcl.2012.08.032
Homo sapiens HL-60 IC50 4.0 nM 10.1016/j.bmcl.2018.06.042
Homo sapiens HL-60 IC50 4.0 nM 10.1016/j.ejmech.2017.03.028
Homo sapiens HL-60 IC50 16.0 nM 10.1021/jm300515q
Homo sapiens HL-60 IC50 63.0 nM 10.1016/j.bmc.2010.08.025
Homo sapiens HL-60 IC50 63.0 nM 10.1016/j.bmcl.2011.02.106
Homo sapiens HL-60 IC50 63.0 nM 10.1021/jm800017u
Homo sapiens HL-60 IC50 3350.0 nM 10.1021/jm980324m
Homo sapiens HL-60 IC50 6300.0 nM 10.1016/j.bmcl.2009.06.097
Homo sapiens HL-60 IC50 6800.0 nM 10.1016/j.bmcl.2009.10.110
Homo sapiens HL-60 IC50 7500.0 nM 10.1016/j.bmcl.2010.09.074
Homo sapiens HL-60 IC50 7900.0 nM 10.1016/j.bmc.2011.03.009
Homo sapiens HL-60 IC50 8100.0 nM 10.1016/j.bmcl.2011.01.072
Homo sapiens HL-60 IC50 8200.0 nM 10.1016/j.bmcl.2011.03.089
Homo sapiens HL-60 IC90 8030.0 nM 10.1021/jm980324m
Homo sapiens HL-60 ID50 0.09 uM 10.1016/S0960-894X(00)80385-6
Homo sapiens HL-60 Ratio EC50 26.0 None None
Homo sapiens HL-60 RatioGI50 13.0 None 10.1016/j.bmc.2007.03.067
Homo sapiens HL-60 RatioGI50 23.0 None 10.1021/jm9005059
Homo sapiens HL-60 RatioGI50 79.0 None 10.1016/j.bmc.2007.10.012
Homo sapiens HL-60 Ratio IC50 2.4 None 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 7.5 None 10.1021/jm200764t
Homo sapiens HL-60 Ratio IC50 10.0 None 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 20.0 None 10.1021/jm300515q
Homo sapiens HL-60 Ratio IC50 24.0 None 10.1016/j.bmc.2010.08.025
Homo sapiens HL-60 Ratio IC50 24.0 None 10.1016/j.bmcl.2011.02.106
Homo sapiens HL-60 Ratio IC50 24.1 None None
Homo sapiens HL-60 Ratio IC50 224.4 None 10.1016/j.bmcl.2012.08.032
Homo sapiens HL60/MX2 IC50 148.0 nM 10.1016/j.bmcl.2018.06.042
Homo sapiens HL60/MX2 IC50 148.0 nM 10.1016/j.ejmech.2017.03.028
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 7.9 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.5 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fabs 85.0 % 10.1124/dmd.110.034629
Homo sapiens Homo sapiens IC50 0.0055 ug.mL-1 10.1021/jm00112a009
Homo sapiens Homo sapiens IC50 0.274 ug.mL-1 10.1021/jm00112a009
Homo sapiens Homo sapiens IC50 10.0 nM 10.1021/jm030820x
Homo sapiens Homo sapiens ID50 2.7e-07 M 10.1021/jm00067a005
Homo sapiens HOP-62 GI50 12.39 nM None
Homo sapiens HOP-92 GI50 35.48 nM None
Homo sapiens Hs-578T GI50 28.44 nM None
Homo sapiens HT-1080 IC50 66.0 nM 10.1021/jm00003a015
Homo sapiens HT-29 GI50 135.21 nM None
Homo sapiens HT-29 GI50 8900.0 nM 10.1016/j.bmcl.2010.01.096
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm010917o
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm011004x
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm049706k
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm970114u
Homo sapiens HT-29 IC50 10.0 nM 10.1021/jm9805586
Homo sapiens HT-29 IC50 17.0 nM 10.1021/jm00003a015
Homo sapiens HT-29 IC50 19.6 nM 10.1021/jm980682p
Homo sapiens HT-29 IC50 20.0 nM 10.1016/j.bmcl.2005.07.079
Homo sapiens HT-29 IC50 25.0 nM 10.1016/j.bmcl.2006.06.074
Homo sapiens HT-29 IC50 2025.0 nM 10.1021/jm980682p
Homo sapiens HT-29 IC50 8000.0 nM 10.1016/s0960-894x(02)00218-4
Homo sapiens HT-29 IC50 8000.0 nM 10.1021/jm011117g
Homo sapiens HT-29 IC50 8700.0 nM 10.1016/j.bmcl.2009.06.097
Homo sapiens HT-29 IC50 21650.0 nM 10.1016/j.ejmech.2018.01.074
Homo sapiens HT-29 Inhibition 8.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 17.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 20.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 24.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 29.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 30.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 34.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 37.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 46.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 47.0 % 10.1021/jm980682p
Homo sapiens HT-29 Inhibition 62.0 % 10.1021/jm980682p
Homo sapiens HT-29 Survival 17.0 % 10.1021/jm980682p
Homo sapiens HT-29 Survival 22.0 % 10.1021/jm980682p
Homo sapiens HT-29 Survival 45.0 % 10.1021/jm980682p
Homo sapiens HT-29 Survival 51.0 % 10.1021/jm980682p
Homo sapiens HT-29 Survival 80.0 % 10.1021/jm980682p
Homo sapiens Huntingtin Potency 10000.0 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 7943.3 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 12589.3 nM None
Homo sapiens IGROV-1 GI50 91.41 nM None
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 IC50 10.0 nM 10.1016/j.bmcl.2015.04.093
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 20596.2 nM None
Homo sapiens Jurkat Activity 50.0 % 10.1016/j.ejmech.2017.11.063
Homo sapiens Jurkat Activity nan None None
Homo sapiens K562 GI 52.12 % 10.1007/s00044-013-0805-z
Homo sapiens K562 GI50 74.13 nM None
Homo sapiens K562 IC50 0.0334 ug.mL-1 10.1021/np9903705
Homo sapiens K562 IC50 2.0 ug.mL-1 10.1021/np0102049
Homo sapiens K562 IC50 2.6 nM 10.1021/np070332i
Homo sapiens K562 IC50 7.06 nM 10.1021/jm980682p
Homo sapiens K562 IC50 133.5 nM 10.1021/jm980682p
Homo sapiens K562 IC50 140.0 nM 10.1016/j.bmcl.2022.128919
Homo sapiens K562 IC50 420.0 nM 10.1016/j.bmc.2008.01.033
Homo sapiens K562 IC50 510.0 nM 10.1021/jm300515q
Homo sapiens K562 IC50 2350.0 nM 10.1016/j.bmc.2020.115868
Homo sapiens K562 IC50 4550.0 nM 10.1016/j.ejmech.2018.01.074
Homo sapiens K562 Ratio IC50 4.2 None 10.1016/j.bmc.2008.01.033
Homo sapiens K562 Ratio IC50 5.1 None 10.1021/jm300515q
Homo sapiens K562 Ratio IC50 10.0 None 10.1021/jm300515q
Homo sapiens K562 Ratio IC50 11.0 None 10.1021/jm200764t
Homo sapiens Kappa opioid receptor AC50 2700.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KM12 GI50 220.29 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 LoVo IC50 0.009 ug.mL-1 10.1021/jm00032a018
Homo sapiens LoVo IC50 0.023 ug.mL-1 10.1016/s0960-894x(99)00689-7
Homo sapiens LoVo IC50 0.024 ug.mL-1 10.1021/jm9804432
Homo sapiens LoVo IC50 0.25 ug.mL-1 10.1021/jm00032a018
Homo sapiens LoVo IC50 0.62 ug.mL-1 10.1016/s0960-894x(99)00689-7
Homo sapiens LoVo IC50 0.67 ug.mL-1 10.1021/jm9804432
Homo sapiens LoVo IC50 3.3 nM 10.1021/jm049706k
Homo sapiens LoVo IC50 9.7 nM 10.1021/jm00003a015
Homo sapiens LoVo IC50 17.1 nM 10.1021/jm980682p
Homo sapiens LoVo IC50 46.0 nM 10.1021/jm9805586
Homo sapiens LoVo IC50 461.0 nM 10.1021/jm980682p
Homo sapiens LoVo IC50 530.0 nM 10.1021/jm00003a015
Homo sapiens LoVo IC50 1290.0 nM 10.1021/jm9805586
Homo sapiens LoVo IC50 nan None 10.1016/j.bmcl.2012.08.032
Homo sapiens LoVo RI 28.0 None 10.1021/jm9804432
Homo sapiens LoVo RI 28.0 None 10.1021/jm9805586
Homo sapiens LOX IMVI GI50 21.38 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 6309.6 nM None
Homo sapiens M14 GI50 182.81 nM None
Homo sapiens Malme-3M GI50 155.6 nM None
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 ERK2 Potency 3981.1 nM 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 GI50 10.0 nM None
Homo sapiens MCF7 GI50 3930.0 nM 10.1016/j.bmc.2007.10.012
Homo sapiens MCF7 IC50 5.0 nM 10.1021/jm00101a001
Homo sapiens MCF7 IC50 8.7 nM 10.1021/jm950742g
Homo sapiens MCF7 IC50 8.7 nM 10.1021/jm960623g
Homo sapiens MCF7 IC50 9.0 nM 10.1021/jm9905817
Homo sapiens MCF7 IC50 20.0 nM 10.1021/jm00003a015
Homo sapiens MCF7 IC50 26.0 nM 10.1021/jm501180v
Homo sapiens MCF7 IC50 41.0 nM 10.1021/jm950742g
Homo sapiens MCF7 IC50 41.0 nM 10.1021/jm960623g
Homo sapiens MCF7 IC50 41.0 nM 10.1021/jm9905817
Homo sapiens MCF7 IC50 72.0 nM 10.1021/jm950742g
Homo sapiens MCF7 IC50 72.0 nM 10.1021/jm960623g
Homo sapiens MCF7 IC50 72.0 nM 10.1021/jm9905817
Homo sapiens MCF7 IC50 380.2 nM 10.1016/j.ejmech.2019.03.051
Homo sapiens MCF7 IC50 4000.0 nM 10.1021/jm00101a001
Homo sapiens MCF7 IC50 7100.0 nM 10.1016/j.bmc.2011.03.009
Homo sapiens MCF7 IC50 7100.0 nM 10.1016/j.bmcl.2009.06.097
Homo sapiens MCF7 Inhibition 19.0 % 10.1016/j.bmc.2007.10.012
Homo sapiens MDA-MB-231 GI50 196.34 nM None
Homo sapiens MDA-MB-231 IC50 960.0 nM 10.1016/j.bmc.2007.03.003
Homo sapiens MDA-MB-231 IC50 960.0 nM 10.1021/jm061410m
Homo sapiens MDA-MB-231 IC50 1000.0 nM 10.1021/jm011117g
Homo sapiens MDA-MB-435 GI50 258.82 nM None
Homo sapiens MDA-MB-435 IC50 0.35 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 646.0 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 1442.0 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 nan None 10.1021/jm060593+
Homo sapiens MDA-MB-435 Ratio IC50 2.2 None 10.1021/jm060593+
Homo sapiens MDA-N GI50 260.02 nM None
Homo sapiens Melanocortin receptor 3 AC50 13399.9 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 11500.1 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 MES-SA IC50 3.0 nM 10.1016/j.bmcl.2005.07.079
Homo sapiens MES-SA IC50 3.0 nM 10.1016/j.bmcl.2006.06.074
Homo sapiens MES-SA IC50 30.0 nM 10.1016/j.bmcl.2005.07.079
Homo sapiens MES-SA Ratio IC50 6.67 None 10.1016/j.bmcl.2011.03.021
Homo sapiens MES-SA Ratio IC50 12.17 None 10.1016/j.bmcl.2015.04.093
Homo sapiens MES-SA RF 11.55 None 10.1016/j.bmcl.2005.07.079
Homo sapiens MES-SA/Dx5 IC50 28.0 nM 10.1016/j.bmcl.2006.06.074
Homo sapiens MES-SA/Dx5 Ratio IC50 9.3 None 10.1016/j.bmcl.2006.06.074
Homo sapiens MKN-28 IC50 0.02 ug.mL-1 10.1021/np9903705
Homo sapiens MKN-45 IC50 12.0 nM 10.1021/jm049706k
Homo sapiens MOLT-4 GI50 10.0 nM None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 1584.9 nM None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 6701.6 nM None
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 190.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 400.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 530.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 2 IC50 530.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 2 IC50 830.0 nM 10.1021/jm301302s
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1124/mol.105.017988
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None None
Homo sapiens Multidrug resistance-associated protein 1 IC50 1.5 nM 10.1124/mol.105.017988
Homo sapiens Multidrug resistance-associated protein 1 IC50 1.9 nM 10.1124/mol.105.017988
Homo sapiens Multidrug resistance-associated protein 1 IC50 27.5 nM 10.1021/acs.jmedchem.9b00963
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 748.7 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 180.3 nM None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 219.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 77.9 nM 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 644.1 nM None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 89.8 nM None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Muscleblind-like protein 1 Potency 878.4 nM None
Homo sapiens Muscleblind-like protein 1 Potency 9856.2 nM None
Homo sapiens MV4-11 Activity nan None 10.1021/jm400045y
Homo sapiens MX1 TWI 57.0 % 10.1021/jm9804432
Homo sapiens N592 IC50 20.0 nM 10.1021/jm00077a016
Homo sapiens NCI/ADR-RES GI50 1406.05 nM None
Homo sapiens NCI-H226 GI50 10.0 nM None
Homo sapiens NCI-H23 GI50 17.18 nM None
Homo sapiens NCI-H322M GI50 345.14 nM None
Homo sapiens NCI-H460 EC50 0.1224 ug.mL-1 10.1016/j.bmcl.2011.03.013
Homo sapiens NCI-H460 EC50 30.0 nM 10.1016/j.bmcl.2013.08.021
Homo sapiens NCI-H460 EC50 120.0 nM 10.1016/j.bmcl.2013.01.022
Homo sapiens NCI-H460 GI50 10.0 nM None
Homo sapiens NCI-H460 GI50 1290.0 nM 10.1016/j.bmc.2007.10.012
Homo sapiens NCI-H460 IC50 360.0 nM 10.1016/j.ejmech.2019.06.066
Homo sapiens NCI-H460 Inhibition 8.0 % 10.1016/j.bmc.2007.10.012
Homo sapiens NCI-H522 GI50 23.17 nM None
Homo sapiens NEDD8 activating enzyme Activity 15.0 % 10.1016/j.ejmech.2017.11.101
Homo sapiens NEDD8 activating enzyme EC50 1300.0 nM 10.1016/j.ejmech.2017.11.101
Homo sapiens NEDD8 activating enzyme Inhibition nan % 10.1016/j.ejmech.2017.11.101
Homo sapiens NEDD8/Cullin-1 Inhibition nan % 10.1016/j.ejmech.2019.111848
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None 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 1000.0 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 Niemann-Pick C1 protein Potency 115820.8 nM None
Homo sapiens Norepinephrine transporter AC50 11817.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 4989.8 nM None
Homo sapiens Norepinephrine transporter Ki 4948.5 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 8199.5 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 14581.0 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 1995.3 nM None
Homo sapiens OVCAR-3 GI50 360.58 nM None
Homo sapiens OVCAR-3 IC50 5.8 nM 10.1021/jm00006a018
Homo sapiens OVCAR-3 IC50 5.8 nM 10.1021/jm950742g
Homo sapiens OVCAR-3 IC50 5.8 nM 10.1021/jm960623g
Homo sapiens OVCAR-3 IC50 6.0 nM 10.1021/jm9905817
Homo sapiens OVCAR-4 GI50 344.35 nM None
Homo sapiens OVCAR-5 GI50 83.56 nM None
Homo sapiens OVCAR-8 GI50 25.47 nM None
Homo sapiens PC-3 GI50 124.74 nM None
Homo sapiens PC-3 GI50 780.0 nM 10.1016/j.bmc.2007.10.012
Homo sapiens PC-3 IC50 7.0 nM 10.1021/jm049706k
Homo sapiens PC-3 IC50 7.1 nM 10.1021/jm980682p
Homo sapiens PC-3 IC50 290.0 nM 10.1016/j.ejmech.2011.10.059
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/s0928-0987(03)00204-5
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 IC50 1501.0 nM 10.1021/acs.jmedchem.9b00963
Homo sapiens P-glycoprotein 1 % maximum response 2.89 % None
Homo sapiens P-glycoprotein 1 Papp 1.91 nm/s None
Homo sapiens P-glycoprotein 1 Papp 6.44 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 0.85 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 3.38 None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 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 Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Prelamin-A/C Potency 70.8 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Proto-oncogene tyrosine-protein kinase ROS IC50 2998.7 nM 10.1039/C6MD00643D
Homo sapiens Proto-oncogene tyrosine-protein kinase ROS Inhibition nan % 10.1039/C6MD00643D
Homo sapiens Purinergic receptor P2Y12 Inhibition -11.0 % 10.1021/jm9003297
Homo sapiens Purinergic receptor P2Y12 Ki 10000.0 nM 10.1021/jm9003297
Homo sapiens Pyruvate kinase isozymes M1/M2 Potency 19952.6 nM None
Homo sapiens Rac GTPase-activating protein 1 IC50 14460.0 nM None
Homo sapiens Ras-related protein Rab-9A Potency 91999.7 nM None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 2035.2 nM None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Regulator of G-protein signaling 4 Potency 11917.3 nM None
Homo sapiens RPMI-8226 GI50 20.04 nM None
Homo sapiens RPMI-8226 IC50 30.0 nM 10.1021/jm00101a001
Homo sapiens RPMI-8226 IC50 180.0 nM 10.1021/jm00101a001
Homo sapiens RXF 393 GI50 41.59 nM None
Homo sapiens Serine/threonine-protein kinase AKT Activity 108.7 % 10.1021/jm400045y
Homo sapiens Serine/threonine-protein kinase Chk2 Activity 59.7 % 10.1021/jm400045y
Homo sapiens Serine/threonine-protein kinase mTOR Potency 146.9 nM None
Homo sapiens Serine/threonine-protein kinase PIM1 Activity 0.86 % 10.1021/jm400045y
Homo sapiens Serine/threonine-protein kinase PIM1 Inhibition nan % 10.1021/jm400045y
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 10000.0 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 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 7110.2 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 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 3561.9 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 1865.7 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 nan None None
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens SF-268 EC50 0.315 ug.mL-1 10.1016/j.bmcl.2011.03.013
Homo sapiens SF-268 EC50 320.0 nM 10.1016/j.bmcl.2013.01.022
Homo sapiens SF-268 GI50 13.58 nM None
Homo sapiens SF-268 GI50 970.0 nM 10.1016/j.bmc.2007.10.012
Homo sapiens SF-268 Inhibition 2.0 % 10.1016/j.bmc.2007.10.012
Homo sapiens SF-295 GI50 10.0 nM None
Homo sapiens SF-539 GI50 10.0 nM None
Homo sapiens SGC-7901 IC50 0.293 nM 10.1021/acs.jnatprod.8b00482
Homo sapiens SH-SY5Y Potency 19952.6 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-BR-3 IC50 16.0 nM 10.1021/jm00006a024
Homo sapiens SK-MEL-2 GI50 209.41 nM None
Homo sapiens SK-MEL-28 GI50 322.11 nM None
Homo sapiens SK-MEL-5 GI50 71.94 nM None
Homo sapiens SK-OV-3 EC50 0.1207 ug.mL-1 10.1016/j.bmcl.2011.03.013
Homo sapiens SK-OV-3 EC50 120.0 nM 10.1016/j.bmcl.2013.01.022
Homo sapiens SK-OV-3 EC50 nan None 10.1016/j.bmcl.2013.08.021
Homo sapiens SK-OV-3 GI50 24.55 nM None
Homo sapiens SK-OV-3 GI50 11000.0 nM 10.1016/j.bmcl.2010.01.096
Homo sapiens SK-OV-3 IC50 5.3 nM 10.1016/0960-894X(96)00130-8
Homo sapiens SK-OV-3 IC50 5.3 nM 10.1021/jm970114u
Homo sapiens SK-OV-3 IC50 5.3 nM 10.1021/jm9801105
Homo sapiens SK-OV-3 IC50 9800.0 nM 10.1016/j.bmcl.2009.06.097
Homo sapiens SMMC-7721 Inhibition 20.5 % 10.1016/j.ejmech.2016.04.031
Homo sapiens SMMC-7721 Inhibition 62.2 % 10.1016/j.ejmech.2016.04.031
Homo sapiens SN12C GI50 13.34 nM None
Homo sapiens SNB-19 GI50 24.04 nM None
Homo sapiens SNB-75 GI50 13.06 nM None
Homo sapiens Sodium channel protein type V alpha subunit AC50 26999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Solute carrier family 22 member 1 IC50 43900.0 nM 10.1021/jm301302s
Homo sapiens Solute carrier family 22 member 2 IC50 73300.0 nM 10.1021/jm301302s
Homo sapiens Solute carrier family 22 member 3 IC50 60500.0 nM 10.1021/jm301302s
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 18.9 % 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 27.2 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 IC50 3390.0 nM 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 67.9 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 84.4 % 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 1B3 Ki 3100.0 nM 10.1016/j.ejmech.2015.01.011
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 48.3 % 10.1021/jm300212s
Homo sapiens SR GI50 10.0 nM None
Homo sapiens SUMO-activating enzyme Inhibition nan % 10.1016/j.ejmech.2017.11.101
Homo sapiens Survival motor neuron protein Potency 794.3 nM None
Homo sapiens SW-620 GI50 93.76 nM None
Homo sapiens T47D GI50 46.56 nM None
Homo sapiens TAR DNA-binding protein 43 IC50 10000.0 nM 10.1016/j.bmcl.2019.126942
Homo sapiens Telomerase reverse transcriptase Activity 7.0 % 10.1016/j.ejmech.2013.06.058
Homo sapiens Telomerase reverse transcriptase Activity 10.0 % 10.1016/j.ejmech.2013.06.058
Homo sapiens Telomerase reverse transcriptase Activity 21.0 % 10.1016/j.ejmech.2013.06.058
Homo sapiens Thrombopoietin Potency 25.1 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 TK-10 GI50 239.88 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase BTK Activity 45.9 % 10.1021/jm400045y
Homo sapiens Tyrosine-protein kinase BTK IC50 1000.0 nM 10.1021/jm400045y
Homo sapiens Tyrosine-protein kinase FYN IC50 1257.9 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 Tyrosine-protein kinase YES Potency 34499.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 32.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 183.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 19952.6 nM None
Homo sapiens U-251 GI50 10.79 nM None
Homo sapiens U2OS Activity nan None 10.1021/acs.jmedchem.1c01654
Homo sapiens U-937 IC50 6200.0 nM 10.1016/j.bmcl.2009.06.097
Homo sapiens UACC-257 GI50 995.41 nM None
Homo sapiens UACC-375 IC50 48.0 nM 10.1021/jm00006a018
Homo sapiens UACC-375 IC50 48.0 nM 10.1021/jm950742g
Homo sapiens UACC-375 IC50 48.0 nM 10.1021/jm960623g
Homo sapiens UACC-375 IC50 48.0 nM 10.1021/jm9905817
Homo sapiens UACC-62 GI50 17.22 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 14125.4 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 35481.3 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 79432.8 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 14689.2 nM None
Homo sapiens Ubiquitin-like modifier-activating enzyme 1 Inhibition nan % 10.1016/j.ejmech.2017.11.101
Homo sapiens UDP-glucuronosyltransferase 1-1 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-6 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-9 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UO-31 GI50 102.33 nM None
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
Homo sapiens Vitamin D receptor Potency 7943.3 nM None
Homo sapiens Vitamin D receptor Potency 8912.5 nM None
Homo sapiens Vitamin D receptor Potency 100000.0 nM None
Homo sapiens Voltage-gated L-type calcium channel IC50 22500.0 nM 10.1038/srep02100
Homo sapiens Voltage-gated L-type calcium channel alpha-1C subunit AC50 50000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Werner syndrome ATP-dependent helicase Potency 961.4 nM None
Homo sapiens Werner syndrome ATP-dependent helicase Potency 8912.5 nM None
Homo sapiens WiDr IC50 8.0 nM 10.1021/jm9905817
Homo sapiens WiDr IC50 8.1 nM 10.1021/jm950742g
Homo sapiens WiDr IC50 8.1 nM 10.1021/jm960623g
Homo sapiens WiDr IC50 10.0 nM 10.1021/jm00006a018
Homo sapiens WiDr IC50 488.0 nM 10.1021/jm950742g
Homo sapiens WiDr IC50 488.0 nM 10.1021/jm960623g
Homo sapiens WiDr IC50 488.0 nM 10.1021/jm9905817
Homo sapiens WiDr IC50 1400.0 nM 10.1021/jm00006a018
Human immunodeficiency virus 1 Aberrant vpr protein Potency 11220.2 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 23100.0 nM 10.1021/acs.jmedchem.1c00154
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase IC50 3800.0 nM 10.1021/jm990322h
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase IC50 8000.0 nM 10.1021/jm990322h
Influenza A virus Nonstructural protein 1 IC50 2049.0 nM None
Leishmania major 2,3-bisphosphoglycerate-independent phosphoglycerate mutase Potency 23934.1 nM None
Leishmania mexicana Pyruvate kinase Potency 15848.9 nM None
Mus musculus 4T1 Activity 77.86 % 10.1016/j.ejmech.2022.114375
Mus musculus 4T1 Activity 93.24 % 10.1016/j.ejmech.2022.114375
Mus musculus 4T1 Activity nan None 10.1016/j.ejmech.2022.114375
Mus musculus 4T1 T/C 32.0 % 10.1016/j.ejmech.2022.114375
Mus musculus 4T1 TGI 59.8 % 10.1016/j.ejmech.2022.114375
Mus musculus 4T1.2 GI nan None 10.1021/acsmedchemlett.7b00090
Mus musculus 4T1.2 Survival 26.0 day 10.1021/acsmedchemlett.7b00090
Mus musculus 4T1.2 Survival 60.0 % 10.1021/acsmedchemlett.7b00090
Mus musculus 4T1.2 TGI nan None 10.1021/acsmedchemlett.7b00090
Mus musculus ATP-binding cassette sub-family G member 2 Activity nan None None
Mus musculus B16 Activity nan None 10.1021/jm00191a008
Mus musculus B16 ILS 120.0 % 10.1021/jm00195a002
Mus musculus B16 Optimal dose 0.6 mg kg-1 10.1021/jm00384a021
Mus musculus B16 T/C 186.0 % 10.1021/jm00191a008
Mus musculus B16 T/C 231.0 % 10.1021/jm00191a008
Mus musculus B16 T/C 265.0 % 10.1021/jm00384a021
Mus musculus B16 T/C 299.0 % 10.1021/jm00191a008
Mus musculus B16 T/C 342.0 % 10.1021/jm00191a008
Mus musculus B16 T/C 466.0 % 10.1021/jm00201a012
Mus musculus B16 T/C 503.0 % 10.1021/jm00201a012
Mus musculus B16 TGI 130.0 % 10.1021/jm950742g
Mus musculus CCRF S-180 RTW 73.0 % 10.1021/jm00399a028
Mus musculus CCRF S-180 RTW nan None 10.1021/jm00399a028
Mus musculus CCRF S-180 TFS 0.0 % 10.1021/jm00399a028
Mus musculus CCRF S-180 Toxic deaths 0.0 None 10.1021/jm00399a028
Mus musculus Colon 26 Activity nan None 10.1021/jm00191a008
Mus musculus Colon 26 T/C 259.0 % 10.1021/jm00191a008
Mus musculus Colon 26 T/C 305.0 % 10.1021/jm00191a008
Mus musculus Colon 26 T/C 353.0 % 10.1021/jm00191a008
Mus musculus H22 Activity 0.57 g 10.1016/j.ejmech.2016.04.031
Mus musculus H22 Activity 9.0 nM 10.1016/j.ejmech.2019.03.051
Mus musculus H22 Activity 29.1 None 10.1016/j.ejmech.2016.04.031
Mus musculus H22 Activity nan None 10.1016/j.ejmech.2019.03.051
Mus musculus H22 IC50 187.0 nM 10.1016/j.ejmech.2019.03.051
Mus musculus H22 Inhibition 49.2 % 10.1016/j.ejmech.2016.04.031
Mus musculus H22 Inhibition nan % 10.1016/j.ejmech.2019.03.051
Mus musculus H22 TGI 73.4 % 10.1016/j.ejmech.2016.04.031
Mus musculus L1210 Activity nan None 10.1021/jm00191a008
Mus musculus L1210 EC50 5.0 ug.mL-1 10.1021/jm00118a015
Mus musculus L1210 IC50 0.009 ug.mL-1 10.1021/jm00032a018
Mus musculus L1210 IC50 0.04 nM 10.1021/jm970114u
Mus musculus L1210 IC50 1.6 nM 10.1021/jm00384a021
Mus musculus L1210 IC50 1.6 nM 10.1021/jm00403a009
Mus musculus L1210 IC50 2.0 nM 10.1021/jm00086a010
Mus musculus L1210 IC50 5.0 nM 10.1021/jm00006a018
Mus musculus L1210 IC50 9.7 nM 10.1021/jm950742g
Mus musculus L1210 IC50 9.7 nM 10.1021/jm960623g
Mus musculus L1210 IC50 10.0 nM 10.1021/jm9905817
Mus musculus L1210 IC50 11.4 nM 10.1021/jm980682p
Mus musculus L1210 IC50 39.0 nM 10.1021/jm00006a018
Mus musculus L1210 IC50 39.0 nM 10.1021/jm950742g
Mus musculus L1210 IC50 39.0 nM 10.1021/jm960623g
Mus musculus L1210 IC50 39.0 nM 10.1021/jm9905817
Mus musculus L1210 IC50 40.0 nM 10.1016/s0960-894x(02)00218-4
Mus musculus L1210 IC50 77.0 nM 10.1016/j.bmcl.2005.07.079
Mus musculus L1210 IC50 100.0 nM 10.1016/j.bmcl.2004.07.036
Mus musculus L1210 IC50 100.0 nM 10.1021/jm00399a028
Mus musculus L1210 IC50 15000.0 nM 10.1016/j.ejmech.2017.02.013
Mus musculus L1210 ID50 1.55 M 10.1021/jm00369a002
Mus musculus L1210 ILS 73.0 % 10.1021/jm00399a028
Mus musculus L1210 ILS 105.0 % 10.1021/jm00399a028
Mus musculus L1210 ILS 150.0 % 10.1021/jm950742g
Mus musculus L1210 Mean 16.7 None 10.1021/jm00399a028
Mus musculus L1210 Mean 17.3 None 10.1021/jm00399a028
Mus musculus L1210 Net log cell kill 6.8 None 10.1021/jm00403a009
Mus musculus L1210 Range 15.0 None 10.1021/jm00399a028
Mus musculus L1210 T/C 163.0 % 10.1021/jm00191a008
Mus musculus L1210 T/C 198.0 % 10.1021/jm00191a008
Mus musculus L1210 T/C 256.0 % 10.1021/jm00191a008
Mus musculus L1210 T/C 261.0 % 10.1021/jm00191a008
Mus musculus L1210 T/C 308.0 % 10.1021/jm00191a008
Mus musculus L1210 TFS 0.0 None 10.1021/jm00399a028
Mus musculus L1210 TFS 7.0 None 10.1021/jm00399a028
Mus musculus L1210 Toxic deaths 0.0 None 10.1021/jm00399a028
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus Activity -2.3 g 10.1021/jm00201a012
Mus musculus Mus musculus Activity -2.0 g 10.1021/jm00201a012
Mus musculus Mus musculus Activity -1.7 g 10.1021/jm00201a012
Mus musculus Mus musculus Activity -1.4 g 10.1021/jm00201a012
Mus musculus Mus musculus Activity -0.6 g 10.1021/jm00201a012
Mus musculus Mus musculus Activity 15.0 % 10.1021/acsmedchemlett.7b00090
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2022.114375
Mus musculus Mus musculus Activity nan None 10.1021/acsmedchemlett.7b00090
Mus musculus Mus musculus Body weight change 0.98 BWC 10.1021/jm980682p
Mus musculus Mus musculus Body weight change 1.02 BWC 10.1021/jm980682p
Mus musculus Mus musculus Body weight change 1.05 BWC 10.1021/jm980682p
Mus musculus Mus musculus Cures 0.0 None 10.1021/jm020420u
Mus musculus Mus musculus DOSE 0.6 mg.kg-1 10.1021/jm00403a009
Mus musculus Mus musculus Growth delay 2.0 day 10.1021/jm020420u
Mus musculus Mus musculus ID50 7e-09 M 10.1021/jm00067a005
Mus musculus Mus musculus ILS 200.0 % 10.1021/jm00006a018
Mus musculus Mus musculus ILS 200.0 % 10.1021/jm960623g
Mus musculus Mus musculus LD10 2.0 mg kg-1 day-1 10.1021/jm00032a018
Mus musculus Mus musculus LD10 3.0 mg kg-1 day-1 10.1021/jm00032a018
Mus musculus Mus musculus LD10 4.0 mg kg-1 day-1 10.1021/jm00032a018
Mus musculus Mus musculus LD50 7e-09 M 10.1021/jm00067a005
Mus musculus Mus musculus LTS 0.0 None 10.1021/jm980682p
Mus musculus Mus musculus T/C 196.0 % 10.1021/jm00032a018
Mus musculus Mus musculus T/C 265.0 % 10.1021/jm00403a009
Mus musculus Mus musculus T/C (ratio of treated to control) 158.0 % 10.1021/jm980682p
Mus musculus Mus musculus T/C (ratio of treated to control) 173.0 % 10.1021/jm980682p
Mus musculus Mus musculus T/C (ratio of treated to control) 174.0 % 10.1021/jm980682p
Mus musculus Mus musculus T/C (ratio of treated to control) 229.0 % 10.1021/jm980682p
Mus musculus Mus musculus Toxic deaths 0.0 None 10.1021/jm00032a018
Mus musculus Mus musculus Toxic deaths 12.0 None 10.1021/jm00032a018
Mus musculus Mus musculus Toxic deaths 43.0 None 10.1021/jm00032a018
Mus musculus NIH3T3 IC50 42000.0 nM 10.1016/j.ejmech.2017.02.013
Mus musculus NIH3T3 IC50 nan None 10.1007/s00044-012-0325-2
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P388 Activity 6.8 None 10.1021/jm00384a021
Mus musculus P388 Activity nan None 10.1021/jm00191a008
Mus musculus P388 Activity nan None 10.1021/jm00201a012
Mus musculus P388 DOSE 1.25 mg.kg-1 10.1021/jm00403a009
Mus musculus P388 DOSE 3.0 mg.kg-1 10.1021/jm00384a021
Mus musculus P388 IC50 4.3 nM 10.1021/jm060593+
Mus musculus P388 IC50 27560.0 nM 10.1021/jm980324m
Mus musculus P388 IC90 38700.0 nM 10.1021/jm980324m
Mus musculus P388 ILS 200.0 % 10.1021/jm950742g
Mus musculus P388 ILS 278.0 % 10.1021/jm00195a002
Mus musculus P388 Ratio IC50 2.0 None 10.1021/jm060593+
Mus musculus P388 T/C 118.0 % 10.1021/jm00128a009
Mus musculus P388 T/C 138.0 % 10.1021/jm00032a018
Mus musculus P388 T/C 172.0 % 10.1021/jm00032a018
Mus musculus P388 T/C 192.0 % 10.1021/jm00128a009
Mus musculus P388 T/C 192.0 % 10.1021/jm00191a008
Mus musculus P388 T/C 197.0 % 10.1021/jm9804432
Mus musculus P388 T/C 200.0 % 10.1021/jm00201a012
Mus musculus P388 T/C 200.0 None 10.1021/jm00392a028
Mus musculus P388 T/C 201.0 % 10.1021/jm00128a009
Mus musculus P388 T/C 208.0 % 10.1021/jm00201a012
Mus musculus P388 T/C 208.0 None 10.1021/jm00392a028
Mus musculus P388 T/C 209.0 % 10.1021/jm00128a009
Mus musculus P388 T/C 210.0 % 10.1021/jm00191a008
Mus musculus P388 T/C 224.0 % 10.1021/jm00191a008
Mus musculus P388 T/C 230.0 % 10.1021/jm00191a008
Mus musculus P388 T/C 231.0 % 10.1021/jm00369a002
Mus musculus P388 T/C 267.0 % 10.1021/jm00384a021
Mus musculus P388 T/C 277.0 % 10.1021/jm00201a012
Mus musculus P388 T/C 277.0 None 10.1021/jm00392a028
Mus musculus P388 T/C 278.0 % 10.1021/jm00369a002
Mus musculus P388 T/C 280.0 % 10.1021/jm00201a012
Mus musculus P388 T/C 280.0 None 10.1021/jm00392a028
Mus musculus P388 T/C 288.0 % 10.1021/jm00128a009
Mus musculus P388 T/C 291.0 % 10.1021/jm00403a009
Mus musculus P388 T/C 299.0 % 10.1021/jm00201a012
Mus musculus P388 T/C 299.0 None 10.1021/jm00392a028
Mus musculus P388 T/C 305.0 % 10.1021/jm00191a008
Mus musculus P388 T/C 381.0 % 10.1021/jm00191a008
Mus musculus P388/ADR IC50 194.0 nM 10.1021/jm060593+
Mus musculus P388/ADR IC50 395.0 nM 10.1021/jm060593+
Mus musculus P388/ADR IC50 nan None 10.1021/jm060593+
Mus musculus P-glycoprotein 1 Activity nan None 10.1016/s0006-2952(96)00512-6
Mus musculus Transient receptor potential cation channel subfamily M member 7 Inhibition nan % None
Mycolicibacterium smegmatis Mycolicibacterium smegmatis Activity nan None 10.1016/j.ejmech.2019.05.081
Mycolicibacterium smegmatis Mycolicibacterium smegmatis IC50 5020.0 nM 10.1128/aac.00803-09
Mycolicibacterium smegmatis Mycolicibacterium smegmatis IC50 9700.0 nM 10.1128/aac.00803-09
Mycolicibacterium smegmatis Mycolicibacterium smegmatis IC50 21840.0 nM 10.1128/aac.00803-09
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 50000.0 nM 10.1128/aac.00803-09
Oncorhynchus gorbuscha Salmon testes DNA AC50 2316.0 nM None
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 1785.3 nM None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Plasmodium falciparum Plasmodium falciparum IC50 0.59 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 0.83 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 0.93 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 1.0 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 1.12 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 1.41 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 1.48 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 630.96 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 794.33 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 1000.0 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 1258.93 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 1584.89 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum Potency 1613.7 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2869.5 nM None
Pseudomonas aeruginosa Beta Lactamase IC50 630.0 nM None
Pseudomonas aeruginosa Beta Lactamase IC50 56000.0 nM None
Pseudomonas aeruginosa Beta Lactamase Ki 1500.0 nM None
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None 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 Brain Compound recovery nan None 10.1124/dmd.110.035998
Rattus norvegicus Brain Fu 0.0046 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Kp 8.01 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Vd 1757.0 L.kg-1 10.1124/dmd.110.035998
Rattus norvegicus C6 Activity nan None 10.1021/np960144k
Rattus norvegicus C6 IC50 10.9 ug.mL-1 10.1007/s00044-012-0325-2
Rattus norvegicus C6 IC50 11.0 ug.mL-1 10.1016/j.ejmech.2015.11.002
Rattus norvegicus C6 Inhibition 84.6 % 10.1007/s00044-012-0325-2
Rattus norvegicus C6 Inhibition nan % 10.1007/s00044-012-0325-2
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A AC50 1248.0 nM None
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 10805.6 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 Inositol monophosphatase 1 Potency 10000.0 nM None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Multidrug resistance protein 1 Activity nan None 10.1016/s0006-2952(96)00512-6
Rattus norvegicus Multidrug resistance protein 1a Activity nan None 10.1016/s0006-2952(96)00512-6
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 5011.9 nM None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 17782.8 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 346.4 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 424.8 nM None
Rattus norvegicus Rattus norvegicus Activity 7737.0 None 10.1021/jm950742g
Rattus norvegicus Rattus norvegicus ALB 33700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42700.0 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 ALP 255.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 328.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 370.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 444.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 32.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 42.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 42.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 47.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 64.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 67.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 75.0 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 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 143.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Cardiotoxicity 7737.0 None 10.1021/jm960623g
Rattus norvegicus Rattus norvegicus CHLORIDE 103.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 105.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 107.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 773.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 776.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 793.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 1070.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 192.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 193.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 220.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 271.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 23000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 26.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 34.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1423.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1630.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1803.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.37 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.23 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 125000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 101.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 141.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 145.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 207.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 12.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 1225.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 1529.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 5180.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7414.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 96.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 99.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.07 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.9 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.47 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 373700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 377300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 379700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 381000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.73 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.27 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 42.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 92.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 2.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 4.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 8.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 137.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 217.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 224.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 117.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 119.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 122.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 135.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 946000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1484000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1537000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1671330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.98 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.74 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 7.01 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 52000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5120000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5380000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5520000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5820000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.57 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 26.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 26.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 1230.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 1670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 5470.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7770.0 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 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 4779.8 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 2.0 mm 10.1016/j.ejmech.2010.07.050
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 3.0 mm 10.1016/j.ejmech.2010.07.050
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Slope 0.01 mutants ug-1 10.1021/jm980167r
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Slope 3.04 mutants ug-1 10.1021/jm980167r
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Slope 3.52 mutants ug-1 10.1021/jm980167r
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 14.55 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.05299 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 1.28 % 10.6019/CHEMBL4495565
Thermus aquaticus Taq polymerase 1 Inhibition nan % 10.1021/jm9801105
Trypanosoma brucei 6-phospho-1-fructokinase Potency 4775.5 nM None
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 21331.3 nM None
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Putative uncharacterized protein Potency 39810.7 nM None
None ADMET Activity -6.6 % 10.1016/j.ejmech.2016.04.031
None ADMET Activity -0.8 % 10.1016/j.ejmech.2016.04.031
None ADMET Activity nan None 10.1016/j.ejmech.2015.11.002
None ADMET Activity nan None 10.1016/j.ejmech.2016.04.031
None ADMET Activity nan None 10.1016/j.ejmech.2022.114375
None ADMET Cardiotoxicity 7737.0 nM 10.1021/jm00006a018
None ADMET Change in Tm 15.0 None 10.1016/0960-894X(96)00130-8
None ADMET Change in Tm 25.0 None 10.1016/0960-894X(96)00130-8
None ADMET CL 7.9 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Compound recovery 4.4 % None
None ADMET Drug uptake nan None 10.1021/acsmedchemlett.7b00090
None ADMET FA nan None 10.1021/jm049711o
None ADMET GI 59.04 % 10.1007/s00044-013-0805-z
None ADMET IC50 0.75 nM 10.1021/jm049706k
None ADMET IC50 0.85 nM 10.1021/jm049706k
None ADMET IC50 1.0 nM 10.1021/jm00048a017
None ADMET IC50 6.8 nM 10.1021/jm049706k
None ADMET IC50 12.0 nM 10.1021/jm049706k
None ADMET IC50 75.0 nM 10.1021/jm049706k
None ADMET IC50 100.0 nM 10.1021/jm800160v
None ADMET IC50 110.0 nM 10.1021/jm049706k
None ADMET K app 34.0 M-1 10.1021/jm030820x
None ADMET log10(%HIA +10) 1.176 None 10.1016/j.ejmech.2010.11.005
None ADMET MRT 25.0 hr 10.1124/dmd.108.020479
None ADMET MTD 0.4 mg kg-1 10.1016/j.ejmech.2016.04.031
None ADMET Papp 0.74 cm/s * 10E6 10.1021/jm049711o
None ADMET Papp 2.3 cm/s * 10E6 10.1021/jm049711o
None ADMET Papp 7.3 cm/s * 10E6 10.1021/jm049711o
None ADMET Papp 7.9 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 12.5 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 14.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 26.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 48.0 cm/s * 10E6 10.1021/jm049711o
None ADMET Ratio -46.0 None 10.1124/dmd.110.034629
None ADMET Ratio -16.0 None 10.1124/dmd.110.034629
None ADMET Ratio 0.5 None 10.1124/dmd.110.034629
None ADMET Ratio 0.6 None 10.1124/dmd.110.034629
None ADMET Ratio 37.0 None 10.1124/dmd.110.034629
None ADMET T1/2 53.0 hr 10.1124/dmd.108.020479
None ADMET T/C 190.0 None 10.1021/jm00067a005
None ADMET Toxicity ratio 387.0 None 10.1021/jm00006a018
None ADMET Vdss 12.0 L.kg-1 10.1124/dmd.108.020479
None Bone marrow cell GI50 7000.0 nM 10.1021/acs.jmedchem.8b00813
None DNA Activity 5.0 % 10.1016/j.bmc.2019.115260
None DNA Activity nan None 10.1016/j.bmc.2019.115260
None DNA T1/2 0.42 hr 10.1016/j.bmc.2019.115260
None EBV-positive nasopharyngeal cell line Reduction 67.0 % 10.1021/jm00366a004
None EBV-positive nasopharyngeal cell line Survival 0.33 None 10.1021/jm00366a004
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 4.5 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 1.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 2.0 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 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 Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 13.5 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 4.5 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Molecular identity unknown Inhibition 7.0 % 10.1016/j.ejmech.2012.01.044
None Molecular identity unknown Inhibition 9.0 % 10.1016/j.ejmech.2012.01.044
None Molecular identity unknown Inhibition 20.0 % 10.1016/j.ejmech.2012.01.044
None NON-PROTEIN TARGET Activity 0.0 % 10.1016/j.ejmech.2012.01.044
None NON-PROTEIN TARGET Activity 0.0 % 10.1016/j.ejmech.2013.06.058
None NON-PROTEIN TARGET Activity 23.0 % 10.1016/j.ejmech.2012.01.044
None NON-PROTEIN TARGET Activity 24.0 % 10.1016/j.ejmech.2013.06.058
None NON-PROTEIN TARGET Activity 99.0 % None
None NON-PROTEIN TARGET CC50 6341.0 nM None
None NON-PROTEIN TARGET EC50 0.0865 ug.mL-1 10.1016/j.bmcl.2011.03.013
None NON-PROTEIN TARGET EC50 0.355 ug.mL-1 10.1016/j.bmcl.2011.03.013
None NON-PROTEIN TARGET EC50 0.7629 ug.mL-1 10.1016/j.bmcl.2011.03.013
None NON-PROTEIN TARGET EC50 42.0 nM None
None NON-PROTEIN TARGET EC50 90.0 nM 10.1016/j.bmcl.2013.01.022
None NON-PROTEIN TARGET EC50 360.0 nM 10.1016/j.bmcl.2013.01.022
None NON-PROTEIN TARGET EC50 420.0 nM 10.1016/j.bmcl.2013.08.021
None NON-PROTEIN TARGET EC50 760.0 nM 10.1016/j.bmcl.2013.01.022
None NON-PROTEIN TARGET EC50 1100.0 nM None
None NON-PROTEIN TARGET Fu 0.13 None 10.1021/jm401963n
None NON-PROTEIN TARGET Fu 0.25 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET GI50 4.42 ug.mL-1 10.1021/jm9005059
None NON-PROTEIN TARGET GI50 26.0 nM 10.1016/j.bmc.2007.10.012
None NON-PROTEIN TARGET GI50 47.86 nM 10.1016/j.bmc.2008.07.069
None NON-PROTEIN TARGET GI50 130.0 nM 10.1016/j.bmc.2007.03.067
None NON-PROTEIN TARGET Hepatotoxicity (acute) 42.8 % 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) 21.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 80.0 % 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 0.73 ug.mL-1 10.1016/j.ejmech.2015.11.002
None NON-PROTEIN TARGET IC50 1.54 ug.mL-1 10.1021/np9903705
None NON-PROTEIN TARGET IC50 6.0 nM 10.1016/j.bmcl.2015.04.093
None NON-PROTEIN TARGET IC50 10.0 nM 10.1021/jm00086a010
None NON-PROTEIN TARGET IC50 12.0 nM 10.1016/j.bmcl.2011.03.021
None NON-PROTEIN TARGET IC50 13.0 nM 10.1016/j.bmcl.2015.04.093
None NON-PROTEIN TARGET IC50 30.0 nM 10.1021/jm00077a016
None NON-PROTEIN TARGET IC50 41.0 nM None
None NON-PROTEIN TARGET IC50 73.0 nM 10.1016/j.bmcl.2015.04.093
None NON-PROTEIN TARGET IC50 80.0 nM 10.1016/j.bmcl.2011.03.021
None NON-PROTEIN TARGET IC50 435.0 nM 10.1021/jm501180v
None NON-PROTEIN TARGET IC50 561.0 nM 10.1016/j.bmcl.2012.08.032
None NON-PROTEIN TARGET IC50 1510.0 nM 10.1016/j.bmc.2010.08.025
None NON-PROTEIN TARGET IC50 1510.0 nM 10.1016/j.bmcl.2011.02.106
None NON-PROTEIN TARGET IC50 1510.0 nM 10.1021/jm800017u
None NON-PROTEIN TARGET IC50 1680.0 nM 10.1016/j.bmc.2008.01.033
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmcl.2012.08.032
None NON-PROTEIN TARGET LC50 7244.36 nM 10.1016/j.bmc.2008.07.069
None NON-PROTEIN TARGET Ratio 1.2 None 10.1016/j.bmcl.2003.12.015
None NON-PROTEIN TARGET Ratio 2.1 None 10.1021/jm980324m
None NON-PROTEIN TARGET Ratio 4.8 None 10.1021/jm980324m
None NON-PROTEIN TARGET Ratio 9.0 None 10.1021/jm00048a017
None NON-PROTEIN TARGET Ratio 11.6 None 10.1021/jm980324m
None NON-PROTEIN TARGET Ratio IC50 24.0 None 10.1021/jm800017u
None NON-PROTEIN TARGET Resistance index 27.0 None 10.1016/s0960-894x(99)00689-7
None NON-PROTEIN TARGET TGI 691.83 nM 10.1016/j.bmc.2008.07.069
None NON-PROTEIN TARGET Toxicity ratio 368.0 None 10.1021/jm950742g
None No relevant target LogP -3.1 None 10.1016/j.ejmech.2009.12.043
None No relevant target pKa 3.2 None 10.1124/dmd.110.035998
None No relevant target pKa 7.4 None 10.1021/jm00086a010
None No relevant target pKa 8.4 None 10.1124/dmd.110.035998
None Nucleic Acid C50 nan None 10.1016/j.ejmech.2009.12.047
None Nucleic Acid Delta Tm 7.4 None 10.1021/jm00086a010
None Nucleic Acid Delta Tm 11.7 None 10.1021/jm00086a010
None Nucleic Acid Delta Tm 15.0 None 10.1021/jm00086a010
None Nucleic Acid Delta Tm 15.9 degrees C 10.1021/jm00067a005
None Nucleic Acid Delta Tm 23.0 degrees C 10.1016/j.ejmech.2008.02.011
None Nucleic Acid Delta Tm 26.4 None 10.1021/jm00086a010
None Nucleic Acid EC50 890.0 nM 10.1021/jm9013407
None Nucleic Acid IC50 460.0 nM 10.1021/jm9013407
None Nucleic Acid K app 2.4e-06 None 10.1021/jm9805586
None Nucleic Acid K app 3.2e-06 None 10.1021/jm9805586
None Nucleic Acid K app 3.41e-06 M-1 10.1021/jm010917o
None Nucleic Acid Log Kd nan None 10.1021/jm00370a007
None Nucleic Acid Q 0.32 uM 10.1021/jm970114u
None Nucleic Acid Q 0.37 uM 10.1021/jm970114u
None Nucleic Acid Tm 91.0 degrees C 10.1016/j.ejmech.2009.12.047
None Tumor cell line IC50 27.0 nM 10.1021/jm950742g
None Unchecked AbsAC35_uM 2.03 uM None
None Unchecked AC50 355.0 nM None
None Unchecked AC50 374.0 nM None
None Unchecked AC50 23890.0 nM None
None Unchecked Activity nan None 10.1016/j.bmc.2009.05.070
None Unchecked Activity nan None 10.1016/j.ejmech.2010.07.050
None Unchecked Activity nan None 10.1021/np960144k
None Unchecked CC50 380.0 nM None
None Unchecked GI50 62900.0 nM 10.1021/acs.jmedchem.8b00813
None Unchecked Gross kill 0.8 None 10.1021/jm00369a002
None Unchecked Gross kill 1.1 None 10.1021/jm00369a002
None Unchecked Hepatotoxicity (acute) 4.0 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) 0.0 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) 2.0 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 3.0 nM 10.1021/jm9905817
None Unchecked IC50 21.0 nM 10.1021/jm950742g
None Unchecked IC50 37.4 nM 10.1021/acs.jmedchem.9b00963
None Unchecked IC50 630.0 nM 10.1016/j.bmc.2009.05.070
None Unchecked IC50 800.0 nM 10.1021/jm400045y
None Unchecked IC50 3000.0 nM 10.1016/j.ejmech.2019.112008
None Unchecked IC50 25000.0 nM 10.1016/j.bmc.2009.05.070
None Unchecked IC50 40600.0 nM 10.1016/j.ejmech.2019.06.066
None Unchecked IC50 56000.0 nM 10.1016/j.bmc.2009.05.070
None Unchecked IC50 100000.0 nM None
None Unchecked IC50 121794.0 nM None
None Unchecked IC50 211070.0 nM None
None Unchecked IC50 nan None 10.1016/j.bmc.2009.05.070
None Unchecked IC50 nan None None
None Unchecked Inhibition 0.0 % 10.1016/j.bmc.2009.05.070
None Unchecked Inhibition 67.0 % 10.1016/j.bmc.2009.05.070
None Unchecked Inhibition 75.81 % 10.1016/j.ejmech.2016.04.031
None Unchecked Inhibition 82.5 % 10.1016/j.ejmech.2016.04.031
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked K nan None 10.1021/jm00048a017
None Unchecked Kd 33.0 nM 10.1016/j.ejmech.2019.112008
None Unchecked Kd 33.0 nM 10.1021/acsmedchemlett.3c00020
None Unchecked Kd 46.0 nM 10.1016/j.ejmech.2019.112008
None Unchecked Kd 1000.0 nM 10.1021/acsmedchemlett.3c00020
None Unchecked Ki 1500.0 nM 10.1016/j.bmc.2009.05.070
None Unchecked Ki nan None None
None Unchecked Potency 100.0 nM None
None Unchecked Potency 316.2 nM None
None Unchecked Potency 326.3 nM None
None Unchecked Potency 429.4 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 1412.5 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 4466.8 nM None
None Unchecked Potency 6793.1 nM None
None Unchecked Potency 7349.5 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 12080.0 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 12995.3 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 23109.3 nM None
None Unchecked Ratio 0.26 None 10.1021/jm301302s
None Unchecked Ratio 0.35 None 10.1021/jm301302s
None Unchecked Ratio 0.73 None 10.1021/jm301302s
None Unchecked Ratio 9.0 None 10.1021/jm00022a016
None Unchecked Ratio 28.0 None 10.1021/jm00032a018
None Unchecked Ratio 50.2 None 10.1021/jm00112a009
None Unchecked Ratio nan None 10.1021/jm00006a024
None Unchecked Ratio IC50 2.8 None 10.1016/j.ejmech.2017.02.013
None Unchecked Ratio IC50 3.5 None 10.1021/acs.jmedchem.9b00963
None Unchecked Ratio IC50 37.0 None 10.1016/j.bmcl.2018.06.042
None Unchecked Ratio IC50 37.0 None 10.1016/j.ejmech.2017.03.028
None Unchecked Ratio IC50 40.1 None 10.1021/acs.jmedchem.9b00963
None Unchecked Ratio IC50 77.2 None 10.1021/acs.jmedchem.9b00963
None Unchecked RI 54.6 None 10.1021/jm00003a015
None Unchecked Survival 6.0 None 10.1021/jm00128a009
None Unchecked T-C 3.0 day 10.1021/jm00369a002
None Unchecked T-C 4.1 day 10.1021/jm00369a002
None Unchecked Toxicity ratio 368.0 None 10.1021/jm960623g

Metabolism Information