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Azacitidine

AlkaPlorer ID: AK003516

Synonym: 'Vidaza', 'Anitibiotic U 18496', '5-AC', 'Mylosar', '5 AZC', 'Azacytidine, 5-', '5-AZCR', 'Ladakamycin', '5-Azacytidine'

IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

Structure

SMILES: N=C1N=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(O)=N1

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InChI: InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1

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InChIKey: NMUSYJAQQFHJEW-KVTDHHQDSA-N

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Properties Information

Molecule Weight: 244.207

TPSA？: 144.71000000000004

MolLogP？: -2.92533

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 10000.0 nM 10.6019/CHEMBL4513141
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans MIC 10000.0 nM 10.6019/CHEMBL4513141
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 MIC 10000.0 nM 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli MIC 0.01 ug.mL-1 10.1021/acs.jnatprod.7b00575
Escherichia coli Escherichia coli MIC 10000.0 nM 10.6019/CHEMBL4513141
Escherichia coli K-12 Beta-lactamase AmpC Potency 10000.0 nM None
Escherichia coli K-12 Beta-lactamase AmpC Potency 39810.7 nM None
Homo sapiens 5637 IC50 1730.0 nM 10.1016/j.bmc.2008.04.003
Homo sapiens A-427 IC50 630.0 nM 10.1016/j.bmc.2008.04.003
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 10000.0 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 10000.0 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 10000.0 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 beta Activity -5.54 None 10.1016/S0960-894X(97)00046-2
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 22387.2 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Androgen Receptor Potency 2511.9 nM None
Homo sapiens Androgen Receptor Potency 3548.1 nM None
Homo sapiens Androgen Receptor Potency 4466.8 nM None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Ataxin-2 Potency 15848.9 nM None
Homo sapiens Ataxin-2 Potency 31622.8 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 1253.8 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2511.9 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2807.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2818.4 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 5600.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 8196.1 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 9196.2 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 11577.4 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 12990.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 15785.0 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor 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 IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bloom syndrome protein Potency 1.6 nM None
Homo sapiens Bradykinin B2 receptor AC50 10000.0 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 794.3 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 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 CDGSH iron-sulfur domain-containing protein 1 IC50 nan None 10.1016/j.bmcl.2016.09.009
Homo sapiens CDGSH iron-sulfur domain-containing protein 1 Ki nan None 10.1016/j.bmcl.2016.09.009
Homo sapiens Cellular tumor antigen p53 Potency 223.9 nM None
Homo sapiens Cellular tumor antigen p53 Potency 3162.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 6309.6 nM None
Homo sapiens Cerebroside-sulfatase Potency 3793.3 nM None
Homo sapiens Cholecystokinin A receptor AC50 10000.0 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 Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 10000.0 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 nan None None
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 562.3 nM None
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 300.0 nM 10.1021/acs.jmedchem.7b01926
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 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 30000.0 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 D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 10000.0 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 E3 ubiquitin-protein ligase UHRF1 Activity 0.88 % 10.1016/j.ejmech.2016.02.043
Homo sapiens E3 ubiquitin-protein ligase UHRF1 Inhibition 48.0 % 10.1016/j.ejmech.2016.02.043
Homo sapiens E3 ubiquitin-protein ligase UHRF1 Inhibition nan % 10.1016/j.ejmech.2016.02.043
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
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 10000.0 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 IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor alpha Potency 5623.4 nM None
Homo sapiens Estrogen receptor alpha Potency 12589.3 nM None
Homo sapiens Estrogen receptor alpha Potency 50118.7 nM None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Geminin Potency 115.8 nM None
Homo sapiens Geminin Potency 2310.9 nM None
Homo sapiens Geminin Potency 2909.3 nM None
Homo sapiens Geminin Potency 2985.5 nM None
Homo sapiens Geminin Potency 3162.3 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon-like peptide 1 receptor Potency 2511.9 nM None
Homo sapiens Glucocorticoid receptor AC50 10000.0 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 Glucocorticoid receptor Potency 5623.4 nM None
Homo sapiens Glucocorticoid receptor Potency 7943.3 nM None
Homo sapiens HEK293 CC50 10000.0 nM 10.6019/CHEMBL4513141
Homo sapiens HEK293 Potency 4107.8 nM None
Homo sapiens HEK293 Potency 7079.5 nM None
Homo sapiens Hemoglobin beta chain Potency 1258.9 nM None
Homo sapiens HepG2 Potency 22387.2 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histone acetyltransferase GCN5 Potency 31622.8 nM None
Homo sapiens Histone deacetylase 6 Inhibition -8.88 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -5.18 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 IC50 10000.0 nM 10.1021/acs.jmedchem.7b01926
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 22.4 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 8.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens T1/2 0.6833 hr 10.1021/jm500843d
Homo sapiens HT-29 Activity nan None 10.1021/np50063a010
Homo sapiens HT-29 IC50 3800.0 nM 10.1021/np50063a010
Homo sapiens HT-29 IZ 20.0 mm 10.1021/np50063a010
Homo sapiens Huntingtin Potency 12589.3 nM None
Homo sapiens Interleukin-8 Potency 943.9 nM None
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 1636.0 nM None
Homo sapiens Kappa opioid receptor AC50 30000.0 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 KB IC50 0.23 ug.mL-1 10.1021/acs.jnatprod.7b00575
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 Lymphoblastoid cell Potency 6309.6 nM None
Homo sapiens Lymphoblastoid cell Potency 7943.3 nM None
Homo sapiens Lymphoblastoid cell Potency 10000.0 nM None
Homo sapiens Lymphoblastoid cell Potency 12589.3 nM None
Homo sapiens Lymphoblastoid cell Potency 15848.9 nM None
Homo sapiens Lymphoblastoid cell Potency 19952.6 nM None
Homo sapiens Lymphoblastoid cell Potency 25118.9 nM None
Homo sapiens Lymphoblastoid cell Potency 31622.8 nM None
Homo sapiens Lymphoblastoid cell Potency 39810.7 nM None
Homo sapiens Lymphoblastoid cell Potency 50118.7 nM None
Homo sapiens Lymphoblastoid cell Potency 79432.8 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 MCF7 IC50 6780.0 nM 10.1016/j.bmc.2008.04.003
Homo sapiens Melanocortin receptor 3 AC50 10000.0 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 10000.0 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 Activity nan None 10.1021/jm800656v
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Monoamine oxidase B Activity nan None 10.1021/jm800656v
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 11220.2 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 17782.8 nM None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 500000.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 Inhibition 50.0 % 10.1021/jm301302s
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens NAD-dependent protein deacetylase sirtuin-6 FC 1.3 None 10.1021/acs.jmedchem.1c00601
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 10000.0 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 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Norepinephrine transporter AC50 10000.0 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 1368.5 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 1883.4 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 4109.5 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 2238.7 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 3349.1 nM None
Homo sapiens Peripheral myelin protein 22 Potency 30131.3 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 25118.9 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 44668.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 891.3 nM None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 1584.9 nM None
Homo sapiens Prelamin-A/C Potency 3162.3 nM None
Homo sapiens Prelamin-A/C Potency 5623.4 nM None
Homo sapiens Progesterone receptor AC50 10000.0 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 Ras-related protein Rab-9A Potency 100000.0 nM 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 Retinoid X receptor alpha Potency 2818.4 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 116.7 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 736.2 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 14689.2 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None 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 10000.0 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 31622.8 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 108.45 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 96.87 % 10.1124/mol.112.084152
Homo sapiens Thrombopoietin Potency 3162.3 nM None
Homo sapiens Thromboxane A2 receptor AC50 10000.0 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 10000.0 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 2511.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 3162.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 6683.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7307.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7499.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8199.5 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 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 31622.8 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 10.0 % 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 12.8 % 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 17.0 % 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 19.1 % 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 25.4 % 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 25.8 % 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 60.0 % 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity nan None 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 53000.0 nM 10.1016/j.bmc.2013.08.023
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 6.8 None 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 43.0 None 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 67.0 None 10.1016/j.bmc.2016.03.052
Klebsiella pneumoniae Klebsiella pneumoniae MIC 10000.0 nM 10.6019/CHEMBL4513141
Mus musculus B16 Activity -1.5 g 10.1021/jm00216a013
Mus musculus B16 ILS 20.0 % 10.1021/jm00216a013
Mus musculus B16 MED 1.5 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 Activity -4.1 g 10.1021/jm00216a013
Mus musculus L1210 Activity -3.8 g 10.1021/jm00216a013
Mus musculus L1210 Activity -3.0 g 10.1021/jm00216a013
Mus musculus L1210 Activity -1.5 g 10.1021/jm00216a013
Mus musculus L1210 Activity -0.5 g 10.1021/jm00216a013
Mus musculus L1210 Activity nan None 10.1021/jm00216a013
Mus musculus L1210 IC50 409.0 nM 10.1021/jm00385a016
Mus musculus L1210 ILS 0.0 % 10.1021/jm00216a013
Mus musculus L1210 ILS 1.0 % 10.1021/jm00196a015
Mus musculus L1210 ILS 24.0 % 10.1021/jm00216a013
Mus musculus L1210 ILS 26.0 % 10.1021/jm00196a015
Mus musculus L1210 ILS 28.0 % 10.1021/jm00216a013
Mus musculus L1210 ILS 33.0 % 10.1021/jm00196a015
Mus musculus L1210 ILS 33.0 % 10.1021/jm00200a012
Mus musculus L1210 ILS 63.0 % 10.1021/jm00200a012
Mus musculus L1210 ILS 66.0 % 10.1021/jm00196a015
Mus musculus L1210 ILS 73.0 % 10.1021/jm00216a013
Mus musculus L1210 ILS 84.0 % 10.1021/jm00200a012
Mus musculus L1210 ILS 86.0 % 10.1021/jm00200a012
Mus musculus L1210 ILS 94.0 % 10.1021/jm00216a013
Mus musculus L1210 ILS 126.0 % 10.1021/jm00216a013
Mus musculus L1210 ILS 128.0 % 10.1021/jm00216a013
Mus musculus L1210 ILS 130.0 % 10.1021/jm00200a012
Mus musculus L1210 Log CR 1.54 None 10.1021/jm00169a014
Mus musculus L1210 MAD 0.75 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MAD 3.13 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MAD 5.0 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MAD 20.0 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MAD 25.0 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MAD 100.0 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MED 0.75 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MED 1.25 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MED 1.56 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MED 5.0 mg kg-1 10.1021/jm00216a013
Mus musculus L1210 MED 12.5 mg kg-1 10.1021/jm00216a013
Mus musculus Mus musculus Activity -6.5 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -6.1 g 10.1021/jm00196a015
Mus musculus Mus musculus Activity -5.7 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -5.3 g 10.1021/jm00196a015
Mus musculus Mus musculus Activity -5.1 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -4.5 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -2.9 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -2.3 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -2.0 g 10.1021/jm00196a015
Mus musculus Mus musculus Activity -1.8 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -1.6 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -1.5 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity -1.3 g 10.1021/jm00196a015
Mus musculus Mus musculus Activity -1.0 g 10.1021/jm00200a012
Mus musculus Mus musculus Activity 0.75 mg kg-1 10.1021/jm00216a013
Mus musculus Mus musculus Activity 1.0 % 10.1021/acs.jmedchem.7b00746
Mus musculus Mus musculus Activity 3.0 mg kg-1 10.1021/jm00216a013
Mus musculus Mus musculus Activity 5.0 mg kg-1 10.1021/jm00216a013
Mus musculus Mus musculus Activity 10.0 mg kg-1 10.1021/jm00216a013
Mus musculus Mus musculus Activity 12.5 mg kg-1 10.1021/jm00216a013
Mus musculus Mus musculus Activity 50.0 mg kg-1 10.1021/jm00216a013
Mus musculus Mus musculus Activity nan None 10.1021/jm00196a015
Mus musculus Mus musculus Activity nan None 10.1021/jm00200a012
Mus musculus Mus musculus MTD 8.0 mg kg-1 10.1021/acs.jmedchem.7b00746
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P388 Activity -4.3 g 10.1021/jm00216a013
Mus musculus P388 Activity nan None 10.1021/np50063a010
Mus musculus P388 IC50 5000.0 nM 10.1021/np50063a010
Mus musculus P388 ILS 127.0 % 10.1021/jm00216a013
Mus musculus P388 IZ 12.5 mm 10.1021/np50063a010
Mus musculus P388 IZ 30.0 mm 10.1021/np50063a010
Mus musculus P388 MAD 3.0 mg kg-1 10.1021/jm00216a013
Mus musculus P388 MED 0.75 mg kg-1 10.1021/jm00216a013
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 5858.4 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 10000.0 nM 10.6019/CHEMBL4513141
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 10000.0 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 Cyclooxygenase-1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 1122.0 nM None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 12589.3 nM None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 44668.4 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 16.1 nM None
Rattus norvegicus Rattus norvegicus T1/2 6.0 hr 10.1021/jm00200a012
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 3.746 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 26.88 % 10.6019/CHEMBL4495564
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 -5.86 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.0 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.12 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus MIC 10000.0 nM 10.6019/CHEMBL4513141
Trypanosoma brucei 6-phospho-1-fructokinase Potency 6.0 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 756.9 nM None
None ADMET CL 35.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET MRT 0.22 hr 10.1124/dmd.108.020479
None ADMET T1/2 0.36 hr 10.1124/dmd.108.020479
None ADMET TI 7.5 None 10.1021/jm00216a013
None ADMET TI 14.0 None 10.1021/jm00216a013
None ADMET Vdss 0.47 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity DILI positive/negative 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Molecular identity unknown Potency 9439.2 nM None
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) 5.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 62.5 % 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 1590.0 nM 10.1016/j.bmc.2008.04.003
None NON-PROTEIN TARGET Potency 3.3 nM None
None NON-PROTEIN TARGET Potency 4.2 nM None
None NON-PROTEIN TARGET Potency 66.8 nM None
None NON-PROTEIN TARGET Potency 20931.0 nM None
None No relevant target Drug degradation 15.0 % 10.1021/jm00196a015
None No relevant target Drug degradation 15.0 % 10.1021/jm00216a013
None No relevant target LogD -2.17 None 10.1021/jm00169a014
None No relevant target LogP -3.1 None 10.1016/j.bmc.2017.08.011
None No relevant target LogP -2.17 None 10.1021/jm070524a
None No relevant target Solubility 89000.0 ug.mL-1 10.1016/j.bmc.2017.08.011
None No relevant target Stability nan % 10.1021/jm00216a013
None No relevant target T1/2 48.0 hr 10.1021/jm00216a013
None Unchecked Ac50 0.7943 uM None
None Unchecked Ac50 1.585 uM None
None Unchecked Ac50 1.778 uM None
None Unchecked Ac50 3.981 uM None
None Unchecked Ac50 14.13 uM None
None Unchecked Ac50 17.78 uM None
None Unchecked AC50 794.3 nM None
None Unchecked AC50 1584.9 nM None
None Unchecked AC50 1780.0 nM None
None Unchecked AC50 3981.1 nM None
None Unchecked AC50 14125.4 nM None
None Unchecked AC50 17782.8 nM None
None Unchecked Activity 50.0 % 10.1016/j.bmc.2016.03.052
None Unchecked Activity nan None 10.1021/acs.jmedchem.6b01803
None Unchecked EC50 510.0 nM 10.1021/acs.jmedchem.6b01803
None Unchecked EC50 10000.0 nM 10.1021/acs.jmedchem.6b01803
None Unchecked EC50 10820.0 nM None
None Unchecked EC50 13990.0 nM None
None Unchecked EC50 17430.0 nM None
None Unchecked EC50 19680.0 nM None
None Unchecked FC 47.0 None 10.1016/j.ejmech.2021.113213
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 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) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 500.0 nM 10.1021/acs.jmedchem.6b01803
None Unchecked IC50 1802.7 nM None
None Unchecked IC50 2550.2 nM None
None Unchecked IC50 3036.4 nM None
None Unchecked IC50 4760.0 nM None
None Unchecked IC50 6666.7 nM None
None Unchecked IC50 7400.4 nM None
None Unchecked IC50 10000.0 nM 10.1021/acs.jmedchem.6b01803
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 10060.0 nM None
None Unchecked IC50 10800.0 nM None
None Unchecked IC50 11223.0 nM None
None Unchecked IC50 11900.0 nM None
None Unchecked IC50 12340.6 nM None
None Unchecked IC50 12532.9 nM None
None Unchecked IC50 13240.0 nM None
None Unchecked IC50 19410.0 nM None
None Unchecked IC50 30800.0 nM None
None Unchecked IC50 33630.0 nM None
None Unchecked IC50 33960.0 nM None
None Unchecked IC50 35200.0 nM None
None Unchecked IC50 39860.0 nM None
None Unchecked IC50 42480.0 nM None
None Unchecked IC50 46170.0 nM None
None Unchecked IC50 50380.0 nM None
None Unchecked IC50 80000.0 nM None
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Inhibition nan % 10.1039/C3MD00214D
None Unchecked Ki nan None None
None Unchecked Max_Activity 26.0 uM None
None Unchecked Potency 661.9 nM None
None Unchecked Potency 794.3 nM None
None Unchecked Potency 1412.5 nM None
None Unchecked Potency 1835.6 nM None
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 2635.1 nM None
None Unchecked Potency 2818.4 nM None
None Unchecked Potency 2956.6 nM None
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 3662.6 nM None
None Unchecked Potency 4109.5 nM None
None Unchecked Potency 4176.3 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 6513.1 nM None
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 8196.1 nM None
None Unchecked Potency 9200.0 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 14818.0 nM None
None Unchecked Potency 16771.6 nM None
None Unchecked Potency 26350.6 nM None
None Unchecked Potency 29565.9 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Potency 50118.7 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT021612 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1>>Nc1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 enzymemap_44659