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10-bromo-N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0²,?]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,?.0¹²,¹?]hexadeca-1(15),2,9,12(16),13-pentaene-4-carboxamide

AlkaPlorer ID: AK027194

Synonym: None

IUPAC Name: (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Structure

SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4C5=C6C(=C(Br)NC6=CC=C5)C[C@H]4N(C)C3)(C(C)C)C(=O)N12

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InChI: InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1

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InChIKey: OZVBMTJYIDMWIL-AYFBDAFISA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Apis cerana Apis Apidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 654.6059999999999

TPSA？: 118.21

MolLogP？: 3.192800000000002

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 44668.4 nM None
Bos taurus Cerebral cortex alpha adrenergic receptor IC50 514.0 nM 10.1021/jm00357a010
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Canis lupus familiaris Brain Fu 0.002 None 10.1124/dmd.111.038778
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
Chlorocebus sabaeus Vero CC50 40000.0 nM 10.1021/acs.jmedchem.9b00775
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
dengue virus type 1 dengue virus type 1 EC50 1600.0 nM 10.1016/j.ejmech.2019.05.010
dengue virus type 2 dengue virus type 2 EC50 800.0 nM 10.1016/j.ejmech.2019.05.010
dengue virus type 3 dengue virus type 3 EC50 800.0 nM 10.1016/j.ejmech.2019.05.010
dengue virus type 4 dengue virus type 4 EC50 800.0 nM 10.1016/j.ejmech.2019.05.010
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Homo sapiens Acetylcholinesterase AC50 1776.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 1919.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 6812.8 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 196.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 844.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 1065.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 30.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 15.0 nM None
Homo sapiens Alpha-2a adrenergic receptor AC50 53.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 611.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 742.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 15.0 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 5.533 nM None
Homo sapiens Alpha-2b adrenergic receptor AC50 766.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 35.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 16.0 nM None
Homo sapiens Alpha-2c adrenergic receptor AC50 1570.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 520.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 76.0 nM None
Homo sapiens Alpha-synuclein IC50 24700.0 nM 10.1016/j.ejmech.2019.01.045
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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, type II Potency 35481.3 nM None
Homo sapiens Ataxin-2 Potency 39810.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 20587.8 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 23099.9 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 9230.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 2400.0 nM None
Homo sapiens Beta-1 adrenergic receptor Ki 1386.0 nM None
Homo sapiens Beta-2 adrenergic receptor AC50 8400.0 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 18920.0 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 1600.0 nM 10.1038/s41467-023-40064-9
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 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 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 39810.7 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 AC50 2493.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 4608.5 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 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 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki 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 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 IC50 2000.0 nM None
Homo sapiens Cytochrome P450 3A4 IC50 2999.16 nM 10.1016/j.ejmech.2008.12.004
Homo sapiens Cytochrome P450 3A4 Ki nan None None
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-(apurinic or apyrimidinic site) lyase Potency 398.1 nM None
Homo sapiens Dopamine D1 receptor AC50 1517.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 2368.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 2889.0 nM None
Homo sapiens Dopamine D1 receptor Ki 1444.0 nM None
Homo sapiens Dopamine D1 receptor Potency 2238.7 nM None
Homo sapiens Dopamine D1 receptor Potency 3264.3 nM None
Homo sapiens Dopamine D1 receptor Potency 3662.4 nM None
Homo sapiens Dopamine D2 receptor AC50 27.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor Activity 75.0 % None
Homo sapiens Dopamine D2 receptor EC50 0.5012 nM None
Homo sapiens Dopamine D2 receptor IC50 1.582 nM None
Homo sapiens Dopamine D2 receptor Intrinsic activity 28.0 None 10.1021/jm5003759
Homo sapiens Dopamine D2 receptor Ki 0.527 nM None
Homo sapiens Dopamine D2 receptor Ki 10.0 nM 10.1021/jm960360q
Homo sapiens Dopamine D2 receptor Ki 14.79 nM 10.1021/jm5003759
Homo sapiens Dopamine D2 receptor Ki 15.0 nM 10.1021/jm5003759
Homo sapiens Dopamine D3 receptor AC50 105.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 0.596 nM None
Homo sapiens Dopamine D3 receptor Ki 0.202 nM None
Homo sapiens Dopamine D3 receptor Ki 87.0 nM 10.1021/jm960360q
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 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 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 12960.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 7000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10999.9 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 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 25000.0 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 35481.3 nM None
Homo sapiens HEK293 Potency 16353.5 nM None
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 1692.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 2130.9 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 14125.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 17782.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 23778.1 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Cmax 0.711 nM 10.1021/acsmedchemlett.7b00462
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 F 4.5 % 10.1016/j.bmc.2007.08.060
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 12800.6 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 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 Microtubule-associated protein tau Potency 3981.1 nM None
Homo sapiens Microtubule-associated protein tau Potency 5623.4 nM None
Homo sapiens Microtubule-associated protein tau Potency 11220.2 nM None
Homo sapiens Microtubule-associated protein tau Potency 15848.9 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 3445.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 14000.1 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 1000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 15092.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 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 28000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 29058.3 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 N-acetylgalactosamine-6-sulfatase Activity nan None 10.1021/acsmedchemlett.0c00042
Homo sapiens N-acetylgalactosamine-6-sulfatase FC 1.36 None 10.1021/acsmedchemlett.0c00042
Homo sapiens N-acetylgalactosamine-6-sulfatase FC 1.48 None 10.1021/acsmedchemlett.0c00042
Homo sapiens N-acetylgalactosamine-6-sulfatase Inhibition 30.0 % 10.1021/acsmedchemlett.0c00042
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 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 Nuclear factor erythroid 2-related factor 2 Potency 20596.2 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 30131.3 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens P-glycoprotein 1 Activity nan None 10.1124/jpet.102.039255
Homo sapiens P-glycoprotein 1 Ki 2810.0 nM 10.1124/mol.61.5.964
Homo sapiens P-glycoprotein 1 Ki 3960.0 nM 10.1124/mol.61.5.964
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 5500.0 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 Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 8428.8 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 39810.7 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 18492.7 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 3.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 170.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 319.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 3100.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki 24.0 nM 10.1021/jm960360q
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 364.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 1351.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor Activity 75.0 % None
Homo sapiens Serotonin 2a (5-HT2a) receptor EC50 1.778 nM None
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 36.0 nM None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 10.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 411.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 538.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 25000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 8.316 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 5.292 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 12000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor Activity 75.0 % None
Homo sapiens Serotonin 2c (5-HT2c) receptor EC50 1584.89 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 532.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 278.0 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 22.0 nM None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 10.0 nM None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 50.0 nM 10.1021/jm049615n
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 SH-SY5Y Potency 39810.7 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Survival motor neuron protein Potency 25118.9 nM None
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 18762.0 nM 10.1038/s41467-023-40064-9
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 9441.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 21136.0 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 56234.1 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 Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 17782.8 nM None
Homo sapiens Vitamin D receptor Potency 28183.8 nM None
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
Macaca fascicularis Brain Fu 0.002 None 10.1124/dmd.111.038778
Mus musculus Brain Fu 0.002 None 10.1124/dmd.111.038778
Mus musculus Indoleamine 2,3-dioxygenase 2 Inhibition 55.0 % 10.1016/j.bmcl.2012.10.010
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus ED50 2.3 mg.kg-1 10.1021/jm00155a011
Mus musculus Mus musculus ED50 5.0 mg.kg-1 10.1021/jm00139a027
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 3548.1 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Mus musculus P-glycoprotein 1 Ki 6390.0 nM 10.1124/jpet.102.037549
Mus musculus P-glycoprotein 3 Ki 7480.0 nM 10.1124/jpet.102.037549
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryctolagus cuniculus Cholesteryl ester transfer protein Inhibition 12.3 % 10.1016/j.ejmech.2009.12.070
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum Potency 3380.8 nM None
Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM None
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Rattus norvegicus Adrenergic receptor alpha-2 IC50 514.0 nM 10.1021/jm00378a014
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 6.96 nM None
Rattus norvegicus Alpha-1a adrenergic receptor Ki 2.817 nM None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 3.547 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 1.964 nM None
Rattus norvegicus Androgen Receptor AC50 3780.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 2281.0 nM None
Rattus norvegicus Androgen Receptor Ki 1521.0 nM None
Rattus norvegicus Brain Fu 0.001 None 10.1124/dmd.111.038778
Rattus norvegicus Brain Fu 0.002 None 10.1124/dmd.111.038778
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Dopamine D2 receptor Kd 4.0 nM 10.1021/jm990526y
Rattus norvegicus Dopamine D2 receptor Kd 8.0 nM 10.1021/jm990526y
Rattus norvegicus Dopamine D2 receptor Kd 17.0 nM 10.1021/jm990526y
Rattus norvegicus Dopamine receptor ED50 2.8 mg.kg-1 10.1021/jm00378a014
Rattus norvegicus Dopamine receptor IC50 27.9 nM 10.1021/jm00357a010
Rattus norvegicus Dopamine receptor IC50 27.9 nM 10.1021/jm00378a014
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 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 Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Multidrug resistance protein 1a Activity nan None 10.1074/jbc.272.17.11518
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 8087.5 nM None
Rattus norvegicus Rattus norvegicus Activity 112.0 None 10.1021/jm00152a004
Rattus norvegicus Rattus norvegicus Activity 836.0 None 10.1021/jm00152a004
Rattus norvegicus Rattus norvegicus Activity 1805.0 None 10.1021/jm00155a011
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00206a007
Rattus norvegicus Rattus norvegicus Ambulation score 112.0 None 10.1021/jm00155a011
Rattus norvegicus Rattus norvegicus Control 32.7 % 10.1021/jm00159a011
Rattus norvegicus Rattus norvegicus Control 82.4 % 10.1021/jm00159a011
Rattus norvegicus Rattus norvegicus Duration of action 18.0 hr 10.1021/jm00373a012
Rattus norvegicus Rattus norvegicus ED50 0.007 mg.kg-1 10.1021/jm00206a007
Rattus norvegicus Rattus norvegicus ED50 0.24 mg.kg-1 10.1021/jm00152a004
Rattus norvegicus Rattus norvegicus ED50 0.6 mg.kg-1 10.1021/jm00152a004
Rattus norvegicus Rattus norvegicus ED50 0.75 mg.kg-1 10.1021/jm00206a007
Rattus norvegicus Rattus norvegicus ED50 2.8 mg.kg-1 10.1021/jm00357a010
Rattus norvegicus Rattus norvegicus Inhibition 23.9 % 10.1021/jm00156a027
Rattus norvegicus Rattus norvegicus Inhibition 60.4 % 10.1021/jm00156a027
Rattus norvegicus Rattus norvegicus Inhibition 90.4 % 10.1021/jm00156a027
Rattus norvegicus Rattus norvegicus Level 1.6 ng ml-1 10.1021/jm00156a027
Rattus norvegicus Rattus norvegicus Level 6.6 ng ml-1 10.1021/jm00156a027
Rattus norvegicus Rattus norvegicus Level 12.7 ng ml-1 10.1021/jm00156a027
Rattus norvegicus Rattus norvegicus Max intensity 4.7 rotations min-1 10.1021/jm00152a004
Rattus norvegicus Rattus norvegicus Score 112.0 None 10.1021/jm00373a012
Rattus norvegicus Rattus norvegicus Score 4868.0 None 10.1021/jm00373a012
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 5.635 nM None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 3.22 nM None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 103.0 nM None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki 47.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 19952.6 nM 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 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 14581.0 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 10.39 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.31 % 10.6019/CHEMBL4495565
Toxoplasma gondii Toxoplasma gondii IC50 nan None 10.1016/j.bmc.2010.01.068
Trichomonas vaginalis Trichomonas vaginalis IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei 6-phospho-1-fructokinase Potency 19011.5 nM None
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
Zika virus Genome polyprotein EC50 13000.0 nM 10.1016/j.bmcl.2020.126965
Zika virus Genome polyprotein EC50 13040.0 nM 10.1021/acs.jmedchem.9b00775
Zika virus Genome polyprotein IC50 13040.0 nM 10.1016/j.ejmech.2019.07.007
Zika virus Genome polyprotein IC50 21600.0 nM 10.1016/j.bmcl.2020.126965
None ADMET Cp 0.01 uM 10.1021/acsmedchemlett.0c00042
None ADMET Fu 0.002 None 10.1124/dmd.111.038778
None ADMET log10(%HIA +10) 1.58 None 10.1016/j.ejmech.2010.11.005
None ADMET PPB 90.0 % 10.1021/acsmedchemlett.0c00042
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 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 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 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 0.0 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 0.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET EC50 1200.0 nM 10.1038/nchembio873
None NON-PROTEIN TARGET EC50 2500.0 nM 10.1038/nchembio873
None NON-PROTEIN TARGET Fu 0.002 None 10.1124/dmd.111.038778
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 6.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 22.0 % 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 nan None 10.1016/j.bmc.2010.01.068
None Unchecked Ac50 1.585 uM None
None Unchecked Ac50 17.78 uM None
None Unchecked Ac50 19.95 uM None
None Unchecked AC50 1584.9 nM None
None Unchecked AC50 17790.0 nM None
None Unchecked AC50 19952.6 nM None
None Unchecked Activity 7.3 % 10.1021/acsmedchemlett.0c00042
None Unchecked Activity 10.5 % 10.1021/acsmedchemlett.0c00042
None Unchecked Activity 11.7 % 10.1021/acsmedchemlett.0c00042
None Unchecked Activity 18.2 % 10.1021/acsmedchemlett.0c00042
None Unchecked Activity nan None 10.1021/acsmedchemlett.0c00042
None Unchecked FC 1.5 None 10.1021/acsmedchemlett.0c00042
None Unchecked FC 1.52 None 10.1021/acsmedchemlett.0c00042
None Unchecked Hepatotoxicity (acute) 2.0 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) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 53.0 nM None
None Unchecked IC50 6692.0 nM None
None Unchecked IC50 nan None None
None Unchecked Ki 35.0 nM None
None Unchecked Ki 6105.0 nM None
None Unchecked Ki nan None None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 29081.0 nM None

Metabolism Information