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name Structure Reference Source Properties Activities Metabolism

3-{[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol

AlkaPlorer ID: AK076008

Synonym: None

IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol

Structure

SMILES: CC1=CC=C(N(CC2=NCCN2)C2=CC=CC(O)=C2)C=C1

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InChI: InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)

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InChIKey: MRBDMNSDAVCSSF-UHFFFAOYSA-N

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Reference

PubChem CID: 5775

CAS: 50-60-2

SuperNatural Ⅲ: SN0349296

NPASS: NPC483487

COCONUT: CNP0342259

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 281.35900000000004

TPSA？: 47.86

MolLogP？: 2.840420000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 34.66 % 10.6019/CHEMBL4513141
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 50118.7 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 79432.8 nM None
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Potency 22387.2 nM None
Bos taurus Alpha-1a adrenergic receptor Ki 0.7943 nM 10.1021/jm970166j
Bos taurus Alpha-1a adrenergic receptor Ki 6.8 nM 10.1021/jm020938y
Bos taurus Alpha-2a adrenergic receptor Ki 0.93 nM 10.1021/jm00366a022
Bos taurus Alpha-2a adrenergic receptor Ki 2.1 nM 10.1021/jm00366a022
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 2.06 % 10.6019/CHEMBL4513141
Canis lupus familiaris Beta-2 adrenergic receptor DR10 10.0 mg kg-1 10.1021/jm00348a013
Canis lupus familiaris Beta-2 adrenergic receptor IC50 nan nM 10.1021/jm970338c
Canis lupus familiaris Canis familiaris ED100 117.0 ug 10.1021/jm00198a024
Canis lupus familiaris Canis familiaris Inhibition 41.0 % 10.1021/jm00143a012
Canis lupus familiaris Canis familiaris Inhibition 42.0 % 10.1021/jm00143a012
Canis lupus familiaris Canis familiaris Inhibition 86.0 % 10.1021/jm00143a012
Canis lupus familiaris Canis familiaris Inhibition 100.0 % 10.1021/jm00143a012
Canis lupus familiaris Canis familiaris MAP -33.0 mmHg 10.1021/jm00143a012
Canis lupus familiaris Canis familiaris MAP -11.0 mmHg 10.1021/jm00143a012
Canis lupus familiaris Canis familiaris MAP -9.0 mmHg 10.1021/jm00143a012
Cavia porcellus Cavia porcellus pA2 nan None 10.1021/jm970338c
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
Cryptococcus neoformans Cryptococcus neoformans Inhibition -2.31 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli Inhibition -2.29 % 10.6019/CHEMBL4513141
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 15950.0 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 Adrenergic receptor alpha DR10 1.2 mg kg-1 10.1021/jm00348a013
Homo sapiens Adrenergic receptor alpha Kd 3.715 nM 10.1021/jm00348a013
Homo sapiens Adrenergic receptor alpha-1 Kd 15.14 nM 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-1 Kd 15.85 nM 10.1016/S0960-894X(96)00518-5
Homo sapiens Adrenergic receptor alpha-1 Relative potency 9.8 None 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-2 Kb 7.0 nM 10.1021/jm00363a001
Homo sapiens Adrenergic receptor alpha-2 K beta 7.0 nM 10.1021/jm00373a018
Homo sapiens Adrenergic receptor alpha-2 Kd 3.162 nM 10.1021/jm00348a013
Homo sapiens Adrenergic receptor alpha-2 Kd 15.49 nM 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-2 Ki 5.0 nM 10.1021/jm00373a018
Homo sapiens Adrenergic receptor alpha-2 pC30 7.07 None 10.1021/jm00370a011
Homo sapiens Alpha-1a adrenergic receptor AC50 0.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 41.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 220.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 290.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor IC50 1.1 nM 10.1021/ml5004298
Homo sapiens Alpha-1a adrenergic receptor Kd 32.36 nM 10.1021/jm00370a011
Homo sapiens Alpha-1a adrenergic receptor Ki 0.6 nM 10.1021/ml5004298
Homo sapiens Alpha-1a adrenergic receptor Ki 4.12 nM 10.1016/j.bmcl.2005.07.083
Homo sapiens Alpha-1a adrenergic receptor Ki 12.0 nM 10.1016/j.bmcl.2018.04.059
Homo sapiens Alpha-1a adrenergic receptor Selectivity 4.8 None 10.1021/jm00360a008
Homo sapiens Alpha-1b adrenergic receptor IC50 10.8 nM 10.1021/ml5004298
Homo sapiens Alpha-1b adrenergic receptor Ki 4.8 nM 10.1021/ml5004298
Homo sapiens Alpha-1b adrenergic receptor Ki 47.4 nM 10.1016/j.bmcl.2005.07.083
Homo sapiens Alpha-1d adrenergic receptor IC50 12.5 nM 10.1021/ml5004298
Homo sapiens Alpha-1d adrenergic receptor IC50 22.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 7.6 nM 10.1021/ml5004298
Homo sapiens Alpha-1d adrenergic receptor Ki 11.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 19.4 nM 10.1016/j.bmcl.2005.07.083
Homo sapiens Alpha-2a adrenergic receptor AC50 46.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 444.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 1652.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor Activity 90.0 % 10.1021/np50094a001
Homo sapiens Alpha-2a adrenergic receptor Activity nan None 10.1038/nchembio705
Homo sapiens Alpha-2a adrenergic receptor IC50 6.0 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 1.7 nM 10.1021/np50094a001
Homo sapiens Alpha-2a adrenergic receptor Ki 2.25 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 2.6 nM 10.1021/jm00018a001
Homo sapiens Alpha-2a adrenergic receptor Ki 55.9 nM 10.1016/j.bmcl.2005.07.083
Homo sapiens Alpha-2b adrenergic receptor AC50 101.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 18.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 7.6 nM 10.1021/jm00018a001
Homo sapiens Alpha-2b adrenergic receptor Ki 8.228 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 48.0 nM 10.1016/j.bmcl.2005.07.083
Homo sapiens Alpha-2c adrenergic receptor AC50 819.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 110.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 8.4 nM 10.1021/jm00018a001
Homo sapiens Alpha-2c adrenergic receptor Ki 16.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 80.3 nM 10.1016/j.bmcl.2005.07.083
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 Ataxin-2 Potency 39810.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 29081.0 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor DR10 10.0 mg kg-1 10.1021/jm00348a013
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 Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1002/hep.27206
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
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 Bromodomain adjacent to zinc finger domain protein 2B Potency 79432.8 nM None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
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 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 Cerebroside-sulfatase Potency 10691.0 nM None
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 50118.7 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 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 25118.86 nM None
Homo sapiens Cytochrome P450 2C19 AC50 1000000000.0 nM 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 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 794.33 nM None
Homo sapiens Cytochrome P450 2D6 AC50 1122.02 nM None
Homo sapiens Cytochrome P450 2D6 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2D6 Potency 794.3 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 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 10000.0 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-(apurinic or apyrimidinic site) lyase Potency 31622.8 nM None
Homo sapiens DNA polymerase iota Potency 50118.7 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D1 receptor Potency 4610.6 nM None
Homo sapiens Dopamine D1 receptor Potency 12589.3 nM None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 10000.0 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 D3 receptor NT nan None 10.1021/jm020938y
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor NT nan None 10.1021/jm020938y
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 Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 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 50000.0 nM None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
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 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 12589.3 nM None
Homo sapiens HEK293 Potency 29081.0 nM None
Homo sapiens HERG AC50 3840.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 20076.3 nM None
Homo sapiens HERG Ki 16448.0 nM None
Homo sapiens Histamine H1 receptor AC50 17000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 316227.77 nM 10.1021/jm300671m
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Inhibition 91.0 % 10.1021/acs.jmedchem.1c00497
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 IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -52.57 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -0.25 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 8912.5 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 39810.7 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity nan None 10.1002/hep.27206
Homo sapiens Homo sapiens Cmax 86.0 nM 10.1002/hep.27206
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens 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 Kappa opioid receptor AC50 1890.2 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 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 Lysine-specific demethylase 4A Potency 89125.1 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 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 Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens 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 Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 10000.0 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 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Nischarin Ki 11.4 nM 10.1016/j.bmc.2008.06.051
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Prelamin-A/C Potency 5011.9 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 Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Regulator of G-protein signaling 4 Potency 751.9 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 7500.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 9314.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor NT nan None 10.1021/jm020938y
Homo sapiens Serotonin 1b (5-HT1b) receptor NT nan None 10.1021/jm020938y
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 1591.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 16000.0 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 359.0 nM None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 103.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 4639.2 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 3807.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 2422.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 12999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 396.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 207.0 nM None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 4243.9 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 SH-SY5Y Potency 39810.7 nM None
Homo sapiens Sigma opioid receptor IC50 549.54 nM 10.1021/jm00050a008
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) IC50 8400.0 nM 10.1021/jm00381a019
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) Inhibition 54.6 % 10.1021/jm00381a019
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 Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 14581.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29855.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 33498.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 39810.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 44668.4 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
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 6.34 % 10.6019/CHEMBL4513141
Mesocricetus auratus Alpha-1b adrenergic receptor Ki 220.0 nM 10.1021/jm020938y
Mus musculus Heat shock factor protein 1 EC50 195000.0 nM None
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Oryctolagus cuniculus Alpha-1a adrenergic receptor Kd 6.31 nM 10.1021/jm970166j
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Plasmodium falciparum Plasmodium falciparum Potency 16944.1 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 4.16 % 10.6019/CHEMBL4513141
Rattus norvegicus Adrenergic receptor alpha IC50 90.0 nM 10.1021/jm00348a014
Rattus norvegicus Adrenergic receptor alpha Kd 3.162 nM 10.1021/jm00348a013
Rattus norvegicus Adrenergic receptor alpha Kd 4.786 nM 10.1021/jm00348a013
Rattus norvegicus Adrenergic receptor alpha Kd 6.026 nM 10.1021/jm00348a013
Rattus norvegicus Adrenergic receptor alpha Kd 12.59 nM 10.1021/jm00349a010
Rattus norvegicus Adrenergic receptor alpha Kd 19.95 nM 10.1021/jm00349a010
Rattus norvegicus Adrenergic receptor alpha Selectivity 0.57 None 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha Selectivity index -0.29 None 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha Selectivity index 0.48 None 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 EC50 1000.0 nM 10.1021/jm00366a022
Rattus norvegicus Adrenergic receptor alpha-1 IC50 2.7 nM 10.1021/jm970338c
Rattus norvegicus Adrenergic receptor alpha-1 IC50 5.2 nM 10.1021/jm00182a011
Rattus norvegicus Adrenergic receptor alpha-1 IC50 9.0 nM 10.1021/jm00356a014
Rattus norvegicus Adrenergic receptor alpha-1 IC50 10.0 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-1 IC50 12.0 nM 10.1021/jm980420n
Rattus norvegicus Adrenergic receptor alpha-1 IC50 36.0 nM 10.1021/jm950866t
Rattus norvegicus Adrenergic receptor alpha-1 IC50 39.0 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 Kd 4.169 nM 10.1021/jm00360a008
Rattus norvegicus Adrenergic receptor alpha-1 Kd 7.943 nM 10.1021/jm00366a022
Rattus norvegicus Adrenergic receptor alpha-1 Kd 9.55 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-1 Kd 9.772 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-1 Kd 11.48 nM 10.1021/jm00348a012
Rattus norvegicus Adrenergic receptor alpha-1 Kd 12.59 nM 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-1 Kd 19.95 nM 10.1021/jm00360a008
Rattus norvegicus Adrenergic receptor alpha-1 Kd 112.2 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 Kd 138.04 nM 10.1021/jm00356a026
Rattus norvegicus Adrenergic receptor alpha-1 Ki 9.8 nM 10.1021/jm00343a015
Rattus norvegicus Adrenergic receptor alpha-1 Ki 10.2 nM 10.1016/j.bmc.2012.05.064
Rattus norvegicus Adrenergic receptor alpha-1 Ki 10.3 nM 10.1016/j.ejmech.2014.01.065
Rattus norvegicus Adrenergic receptor alpha-1 Ki 16.0 nM 10.1016/j.ejmech.2018.01.093
Rattus norvegicus Adrenergic receptor alpha-1 Ki 16.0 nM 10.1021/jm3003679
Rattus norvegicus Adrenergic receptor alpha-1 Ki 18.0 nM 10.1016/j.bmcl.2013.05.062
Rattus norvegicus Adrenergic receptor alpha-1 Ki 18.0 nM 10.1016/j.bmcl.2016.09.037
Rattus norvegicus Adrenergic receptor alpha-1 Ki 18.0 nM 10.1021/jm010866v
Rattus norvegicus Adrenergic receptor alpha-1 Ki 18.0 nM 10.1021/jm020952a
Rattus norvegicus Adrenergic receptor alpha-1 Ki 23.44 nM 10.1016/j.bmc.2015.03.009
Rattus norvegicus Adrenergic receptor alpha-1 Ki 90.0 nM 10.1021/jm020938y
Rattus norvegicus Adrenergic receptor alpha-1 pA10 6.02 None 10.1021/jm00356a026
Rattus norvegicus Adrenergic receptor alpha-1 Ratio 0.794 None 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-2 EC50 1000.0 nM 10.1021/jm00366a022
Rattus norvegicus Adrenergic receptor alpha-2 IC50 10.0 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-2 IC50 20.0 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-2 IC50 37.5 nM 10.1021/jm00157a011
Rattus norvegicus Adrenergic receptor alpha-2 Inhibition nan % 10.1016/j.bmcl.2016.09.037
Rattus norvegicus Adrenergic receptor alpha-2 Kd 1.514 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-2 Kd 9.333 nM 10.1021/jm00348a012
Rattus norvegicus Adrenergic receptor alpha-2 Kd 10.0 nM 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-2 Kd 16.6 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-2 Kd 338.84 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-2 Ki 1.4 nM 10.1021/jm00109a013
Rattus norvegicus Adrenergic receptor alpha-2 Ki 9.3 nM 10.1021/jm00343a015
Rattus norvegicus Adrenergic receptor alpha-2 Ki 22.0 nM 10.1021/jm00354a001
Rattus norvegicus Adrenergic receptor alpha-2 pA1 7.8 None 10.1021/jm00366a022
Rattus norvegicus Adrenergic receptor beta IC50 nan nM 10.1021/jm970338c
Rattus norvegicus Adrenergic receptor beta Specificity nan None 10.1021/jm970338c
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 11.0 nM None
Rattus norvegicus Alpha-1a adrenergic receptor Ki 4.655 nM None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 82.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 45.0 nM None
Rattus norvegicus Alpha-1d adrenergic receptor Kb 11.8 nM 10.1016/j.bmcl.2005.07.083
Rattus norvegicus Alpha-1d adrenergic receptor Ki 45.0 nM 10.1021/jm020938y
Rattus norvegicus Alpha-1d adrenergic receptor Potency ratio 1.0 None 10.1016/j.bmcl.2005.07.083
Rattus norvegicus Alpha-2a adrenergic receptor Ki 4.7 nM 10.1021/jm00018a001
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 Beta-1 adrenergic receptor Inhibition nan % 10.1016/j.bmcl.2016.09.037
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Dopamine D1 receptor NT nan None 10.1021/jm020938y
Rattus norvegicus Dopamine D2 receptor NT nan None 10.1021/jm020938y
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 10000.0 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 Histamine H1 receptor IC50 12589.25 nM 10.1021/jm300671m
Rattus norvegicus Ileum Inhibition nan % 10.1016/j.ejmech.2016.01.021
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Liver IC50 nan None 10.1002/hep.27206
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Rattus norvegicus Activity 45.0 mmHg 10.1021/jm00198a024
Rattus norvegicus Rattus norvegicus Activity 106.7 mmHg 10.1021/np9703712
Rattus norvegicus Rattus norvegicus Activity 108.4 mmHg 10.1021/np9703712
Rattus norvegicus Rattus norvegicus Activity 356.7 bpm 10.1021/np9703712
Rattus norvegicus Rattus norvegicus Activity 372.5 bpm 10.1021/np9703712
Rattus norvegicus Rattus norvegicus ALB 43000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 44700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 353.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 368.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 373.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 406.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 414.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 440.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 31.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 47.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 51.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 54.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 66.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 72.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 74.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 75.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 80.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 90.83 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 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Block 66.2 % 10.1021/jm00185a026
Rattus norvegicus Rattus norvegicus BUN 155.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 163.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 170.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 173.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 186.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Change -41.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change -34.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change -33.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change -22.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change 6.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change 7.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change 11.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change 18.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change 21.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus Change 22.0 % 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.67 mEq.L-1 10.6019/CHEMBL3885881
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 CHOL 643.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 718.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 766.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 803.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 810.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 813.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 188.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 207.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 255.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 368.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 410.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 585.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 19670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 20330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 23500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Decrease in blood pressure 16.0 % 10.1021/jm00143a012
Rattus norvegicus Rattus norvegicus Decrease in blood pressure 19.0 % 10.1021/jm00143a012
Rattus norvegicus Rattus norvegicus Decrease in blood pressure 30.0 % 10.1021/jm00143a012
Rattus norvegicus Rattus norvegicus Decrease in blood pressure 36.0 % 10.1021/jm00357a017
Rattus norvegicus Rattus norvegicus Decrease in blood pressure 37.0 % 10.1021/jm00143a012
Rattus norvegicus Rattus norvegicus Decrease in blood pressure nan None 10.1021/jm00357a017
Rattus norvegicus Rattus norvegicus DOSE 0.03 mg.kg-1 10.1021/jm00349a010
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 33.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 44.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 53.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1636.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1660.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1703.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1711.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1721.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 2003.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.77 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.58 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 38.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 131300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 142000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Kd 8.511 nM 10.1021/jm00357a016
Rattus norvegicus Rattus norvegicus LDH 78.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 112.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 131.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 137.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 220.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 388.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11097.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12184.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13096.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13731.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13788.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13982.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 81.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 22.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.9 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.22 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.5 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 364700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 367300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 371000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 372000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 376000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 376700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.13 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.3 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.07 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.0 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.03 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.35 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 108.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 122.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 136.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 186.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 288.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 349.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 16.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 958.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 968.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1016.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1109.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1645.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 3068.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 107.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 114.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 117.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 123.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1295500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1344670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1379670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1392000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1406000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1475330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.21 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.26 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.72 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.89 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 64300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 64700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5480000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5510000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5570000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5760000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5900000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6030000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.17 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.67 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Rise HR 23.0 % 10.1021/jm00357a017
Rattus norvegicus Rattus norvegicus Rise HR nan None 10.1021/jm00357a017
Rattus norvegicus Rattus norvegicus SODIUM 143.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.07 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.28 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.97 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 19.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 19.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 21.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12230.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13280.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15030.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15620.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 17400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Inhibition 50.0 % 10.1021/jm950866t
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 Serotonin 2a (5-HT2a) receptor Inhibition nan % 10.1016/j.bmc.2017.09.018
Rattus norvegicus Serotonin 2a (5-HT2a) receptor NT nan None 10.1021/jm020938y
Rattus norvegicus Serotonin 2c (5-HT2c) receptor NT nan None 10.1021/jm020938y
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 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 14.21 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.06841 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 0.13 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus Inhibition 2.09 % 10.6019/CHEMBL4513141
None ADMET Binding energy 11.9 kCal mol-1 10.1021/jm00378a021
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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LTKB_BD DILI severity score nan None 10.1016/j.drudis.2011.05.007
None NON-PROTEIN TARGET Potency 2.7 nM None
None NON-PROTEIN TARGET Potency 13.3 nM None
None NON-PROTEIN TARGET Potency 10583.9 nM None
None NON-PROTEIN TARGET Potency 21117.7 nM None
None No relevant target CLogP 3.81 None 10.1021/jm010866v
None No relevant target LogD 0.82 None 10.1021/jm00143a012
None No relevant target Slope 0.96 None 10.1021/jm00348a013
None No relevant target Slope 1.05 None 10.1021/jm00348a013
None No relevant target Slope 1.22 None 10.1021/jm00348a013
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 31.62 uM None
None Unchecked Ac50 35.48 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 31622.8 nM None
None Unchecked AC50 35481.3 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity 95.0 % 10.1021/np50094a001
None Unchecked Activity nan None 10.1126/science.1160354
None Unchecked ED50 0.03 ug ml-1 10.1021/jm00198a024
None Unchecked IC50 58.0 nM None
None Unchecked IC50 746.0 nM None
None Unchecked IC50 nan None None
None Unchecked Kd 10000.0 nM 10.1021/jm00348a013
None Unchecked Ki 13.0 nM 10.1021/np50094a001
None Unchecked Ki 39.0 nM None
None Unchecked Ki 57.03 nM 10.1016/j.bmc.2008.06.051
None Unchecked Ki 725.0 nM None
None Unchecked Ki nan None None
None Unchecked pK 8.1 None 10.1021/jm0408969
None Unchecked pK 8.8 None 10.1021/jm0408969
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 16360.1 nM None
None Unchecked Potency 23099.9 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio 0.006 None 10.1021/jm00357a016
None Unchecked Ratio pKi 0.6992 None 10.1016/j.bmc.2008.06.051
None Unchecked Selectivity index 0.43 None 10.1021/jm00370a011
None Unchecked Selectivity ratio 1.23 None 10.1021/jm00348a012

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015021 Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1>>Cc1ccc(N(CC2=NCCN2)c2cccc(OS(=O)(=O)O)c2)cc1 enzymemap_49931