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Gabapentin

AlkaPlorer ID: AK017019

Synonym: None

IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid

Structure

SMILES: NCC1(CC(=O)O)CCCCC1

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InChI: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)

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InChIKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N

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Reference

PubChem CID: 6919078

CAS: 360-70-3

SuperNatural Ⅲ: SN0369713

NPASS: NPC302188

COCONUT: CNP0330356

Properties Information

Molecule Weight: 171.23999999999992

TPSA？: 63.32000000000001

MolLogP？: 1.3702999999999994

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus spizizenii Bacillus spizizenii MIC nan None 10.1016/j.ejmech.2019.01.062
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Escherichia coli Escherichia coli MIC nan None 10.1016/j.ejmech.2019.01.062
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 6309.6 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 AC50 30000.0 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 30000.0 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 30000.0 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 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 Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bloom syndrome protein Potency 1584893.2 nM None
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Caco-2 logPapp -7.58 None 10.1016/j.bmc.2011.03.011
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 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 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 39810.72 nM 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 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 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 AC50 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 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 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 30000.0 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 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 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens GABA-B receptor 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 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 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 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 30000.0 nM 10.1038/s41467-023-40064-9
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 Activity 0.59 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens CL 0.0 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 1.7 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 1.7 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 1.7 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 1.7 mL.min-1.kg-1 10.1021/jm901371v
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 60.0 % 10.1016/j.bmc.2007.08.060
Homo sapiens Homo sapiens Fa 0.6 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.6 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.71 L.kg-1 10.1021/jm901371v
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 10000.0 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 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 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 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 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 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Peroxisome proliferator-activated receptor gamma AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 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 Plasma K(p,uu,CSF) 0.16 None 10.1021/jm901036q
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 14125.4 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 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 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 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 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 AC50 10000.0 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 7 (5-HT7) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Sodium channel protein type V alpha subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Solute carrier family 22 member 1 Inhibition 15.1 % 10.1021/jm8003152
Homo sapiens Survival motor neuron protein Potency 1412.5 nM None
Homo sapiens Thrombin AC50 30000.0 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 Thyroid stimulating hormone receptor Potency 15848.9 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 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 Ubiquitin carboxyl-terminal hydrolase 1 Potency 35481.3 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 14689.2 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 Voltage-gated calcium channel alpha2/delta subunit 1 IC50 27.0 nM 10.1016/j.bmcl.2004.01.087
Homo sapiens Whole blood Retention_time 2.41 min 10.1007/s00044-012-9977-1
Macaca fascicularis Cynomolgus monkey F 25.0 % 10.1016/j.bmc.2013.12.017
Mus musculus Mus musculus Activity 48.0 % 10.1021/jm301056k
Mus musculus Mus musculus Activity 60.0 % 10.1016/j.bmcl.2008.10.101
Mus musculus Mus musculus Activity 71.0 % 10.1021/jm301056k
Mus musculus Mus musculus Activity 72.0 % 10.1021/acs.jmedchem.0c00361
Mus musculus Mus musculus Activity 80.0 % 10.1016/j.bmc.2017.08.012
Mus musculus Mus musculus Activity 100.0 % 10.1016/j.bmcl.2008.10.101
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2013.12.017
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2018.06.009
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.2c00494
Mus musculus Mus musculus Activity nan None 10.1021/acs.jnatprod.5b00456
Mus musculus Mus musculus Activity nan None 10.1021/jm100828n
Mus musculus Mus musculus Activity nan None 10.1021/jm400766k
Mus musculus Mus musculus Activity nan None 10.1021/jm900143u
Mus musculus Mus musculus Activity nan None None
Mus musculus Mus musculus ED50 21.5 mg.kg-1 10.1016/j.ejmech.2008.02.025
Mus musculus Mus musculus ED50 35.0 mg.kg-1 10.1016/j.ejmech.2008.02.025
Mus musculus Mus musculus ED50 40.0 mg.kg-1 10.1021/acs.jmedchem.9b01046
Mus musculus Mus musculus ED50 87.0 mg.kg-1 10.1016/S0960-894X(01)80855-6
Mus musculus Mus musculus ED50 110.0 mg.kg-1 10.1021/jm100828n
Mus musculus Mus musculus ED50 140.0 umol.kg-1 10.1021/acsmedchemlett.5b00150
Mus musculus Mus musculus ED50 336.0 umol.kg-1 10.1016/j.bmcl.2018.06.009
Mus musculus Mus musculus ED50 8200.0 ng 10.1021/acs.jmedchem.7b00956
Mus musculus Mus musculus Inhibition nan % 10.1021/acs.jmedchem.6b00132
Mus musculus Mus musculus Inhibition nan % 10.1021/acs.jmedchem.8b00545
Mus musculus Mus musculus LD50 8000.0 mg.kg-1 10.1016/j.bmc.2013.12.017
Mus musculus Mus musculus Protected 1.0 % 10.1016/S0960-894X(01)80855-6
Mus musculus Mus musculus Protected 70.0 % 10.1016/S0960-894X(01)80855-6
Mus musculus Mus musculus Protected 74.0 % 10.1016/S0960-894X(01)80855-6
Mus musculus Mus musculus Protected 75.0 % 10.1016/S0960-894X(01)80855-6
Mus musculus Mus musculus Protected 99.0 % 10.1016/S0960-894X(01)80855-6
Mus musculus Mus musculus Protection 100.0 % 10.1021/jm049762l
Mus musculus Mus musculus TIME 1.0 hr 10.1021/acsmedchemlett.5b00150
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Voltage-gated calcium channel alpha2/delta subunit 1 ED50 12.5 mg.kg-1 10.1016/j.bmcl.2005.05.016
Mus musculus Voltage-gated calcium channel alpha2/delta subunit 1 Ki 120.0 nM 10.1016/j.bmcl.2005.11.108
Mus musculus Voltage-gated calcium channel alpha2/delta subunit 1 Ki 120.23 nM 10.1016/j.bmcl.2005.11.108
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
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC nan None 10.1016/j.ejmech.2019.01.062
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Brain Fu 1.06 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Kp 4.55 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Vd 4.6 L.kg-1 10.1124/dmd.110.035998
Rattus norvegicus Brain Vdu 4.6 ml 10.1021/jm901036q
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 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 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 Muscarinic acetylcholine receptor M1 Potency 28183.8 nM None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma Cp(f) 5.2 uM 10.1021/jm901036q
Rattus norvegicus Plasma Fu 0.97 None 10.1021/jm901371v
Rattus norvegicus Plasma Fu 1.0 None 10.1021/jm901036q
Rattus norvegicus Plasma K(p,uu,CSF) 0.067 None 10.1021/jm901036q
Rattus norvegicus Rattus norvegicus Activity 1.5 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 1.6 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 4.6 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 5.5 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 5.9 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 6.0 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 6.53 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 6.6 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 6.9 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 7.2 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 7.5 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 7.6 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 7.8 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 8.4 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 8.8 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 9.0 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 9.1 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 9.2 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 9.3 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 9.9 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 10.0 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 10.1 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 10.2 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 10.7 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 11.0 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 12.3 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 12.9 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 13.1 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 15.5 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 16.7 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 18.1 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 20.0 % 10.1016/j.bmcl.2013.03.121
Rattus norvegicus Rattus norvegicus Activity 20.1 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 26.8 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 29.7 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 32.0 % 10.1021/acs.jmedchem.1c00472
Rattus norvegicus Rattus norvegicus Activity 32.1 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 34.0 % 10.1021/acs.jmedchem.1c00472
Rattus norvegicus Rattus norvegicus Activity 35.4 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 35.6 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 36.0 % 10.1016/j.bmcl.2013.03.121
Rattus norvegicus Rattus norvegicus Activity 36.8 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 40.0 % 10.1016/j.ejmech.2015.04.060
Rattus norvegicus Rattus norvegicus Activity 42.9 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 43.1 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 43.5 g 10.1016/j.bmc.2007.12.015
Rattus norvegicus Rattus norvegicus Activity 46.1 g 10.1016/j.bmc.2007.12.015
Rattus norvegicus Rattus norvegicus Activity 46.3 g 10.1016/j.bmc.2007.12.015
Rattus norvegicus Rattus norvegicus Activity 50.7 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 54.0 % 10.1021/acs.jmedchem.1c00472
Rattus norvegicus Rattus norvegicus Activity 54.1 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 55.8 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 56.1 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 58.0 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 58.2 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 58.5 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 59.4 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 61.0 % 10.1021/jm901497b
Rattus norvegicus Rattus norvegicus Activity 62.2 s 10.1021/jm061431g
Rattus norvegicus Rattus norvegicus Activity 70.0 % 10.1016/j.bmcl.2019.08.007
Rattus norvegicus Rattus norvegicus Activity 70.0 % 10.1021/jm901497b
Rattus norvegicus Rattus norvegicus Activity 71.2 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 75.7 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 78.6 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 80.0 % 10.1016/j.ejmech.2015.04.060
Rattus norvegicus Rattus norvegicus Activity 82.4 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 86.2 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 88.8 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 89.0 % 10.1021/acs.jmedchem.1c00472
Rattus norvegicus Rattus norvegicus Activity 91.2 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 91.3 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 92.9 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity 94.2 % 10.1016/j.ejmech.2013.05.022
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmc.2010.06.082
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmc.2012.06.042
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmc.2016.06.006
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmc.2017.07.008
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmc.2022.116698
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2008.04.006
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2011.07.087
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2012.12.056
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2013.08.092
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2015.01.035
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2017.07.031
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2019.03.026
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2011.04.021
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jmedchem.0c01964
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jmedchem.0c02151
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jmedchem.1c00472
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jmedchem.7b00825
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acsmedchemlett.0c00263
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acsmedchemlett.5b00023
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm900143u
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43000.0 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 324.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 333.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 338.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 373.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 377.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 380.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 48.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 54.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 70.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 71.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 79.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 80.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 81.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 84.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 84.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AUC 8600.0 ng.hr.mL-1 10.1016/j.bmcl.2005.05.016
Rattus norvegicus Rattus norvegicus AUC 8600.0 ng.hr.mL-1 10.1016/j.bmcl.2008.10.101
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 143.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 151.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 196.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 640.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 676.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 710.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 723.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 770.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 900.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CITH 48.0 None 10.1021/jm049762l
Rattus norvegicus Rattus norvegicus CK 156.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 203.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 221.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 245.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 410.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 600.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CL 6.0 mL.min-1.kg-1 10.1016/j.bmcl.2005.05.016
Rattus norvegicus Rattus norvegicus CL 6.0 mL.min-1.kg-1 10.1016/j.bmcl.2008.10.101
Rattus norvegicus Rattus norvegicus CO2 26830000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 28670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Drug uptake 3.41 microg/g 10.1016/j.bmcl.2005.11.108
Rattus norvegicus Rattus norvegicus ED50 30.0 mg.kg-1 10.1021/acs.jmedchem.9b01046
Rattus norvegicus Rattus norvegicus ED50 40.0 mg.kg-1 10.1073/pnas.0611364104
Rattus norvegicus Rattus norvegicus ED50 50.0 mg.kg-1 10.1016/j.bmcl.2013.03.121
Rattus norvegicus Rattus norvegicus ED50 125.0 umol.kg-1 10.1016/j.bmcl.2005.11.108
Rattus norvegicus Rattus norvegicus Efficacy 62.0 % 10.1021/jm800670r
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 66.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 86.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 133.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus F 76.0 % 10.1016/j.bmcl.2005.05.016
Rattus norvegicus Rattus norvegicus F 76.0 % 10.1016/j.bmcl.2008.10.101
Rattus norvegicus Rattus norvegicus GLUC 1483.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1613.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1616.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1643.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1706.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1726.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.03 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.15 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.53 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.7 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 131300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 142700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Inhibition 33.0 % 10.1016/j.bmcl.2012.04.051
Rattus norvegicus Rattus norvegicus Inhibition 100.0 % 10.1016/j.bmcl.2018.03.091
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.bmcl.2011.07.087
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.bmcl.2011.12.100
Rattus norvegicus Rattus norvegicus LDH 96.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 111.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 162.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 166.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 185.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 222.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10848.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11674.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12458.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13178.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13861.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 17008.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 86.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 86.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.33 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.7 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.87 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.98 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 26.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 389300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 398500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 399700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 401000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 407300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 410000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.57 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.33 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.78 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.0 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.03 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 43.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 65.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 100.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 106.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 159.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1028.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1125.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1246.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1559.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1842.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1925.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Permeability 0.46 None 10.1016/S0960-894X(00)80672-1
Rattus norvegicus Rattus norvegicus PHOS 116.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 117.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 119.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 133.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1093000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1169330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1188500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1217000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1256330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1357000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.98 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.11 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.36 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.75 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PWT 2.23 g 10.1016/j.bmcl.2004.02.094
Rattus norvegicus Rattus norvegicus PWT 13.5 g 10.1016/j.bmcl.2004.02.094
Rattus norvegicus Rattus norvegicus RBC 5120000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5260000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5280000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5420000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5550000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5640000.0 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 SODIUM 143.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.63 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.87 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.93 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus T1/2 1.5 hr 10.1016/j.bmcl.2005.05.016
Rattus norvegicus Rattus norvegicus T1/2 1.5 hr 10.1016/j.bmcl.2008.10.101
Rattus norvegicus Rattus norvegicus TIME 1.0 hr 10.1016/j.ejmech.2011.04.021
Rattus norvegicus Rattus norvegicus TIME 2.5 hr 10.1016/j.ejmech.2011.04.021
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 11.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 22.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Vdss 0.65 L.kg-1 10.1016/j.bmcl.2005.05.016
Rattus norvegicus Rattus norvegicus Vdss 0.65 L.kg-1 10.1016/j.bmcl.2008.10.101
Rattus norvegicus Rattus norvegicus WBC 12050.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15270.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 18930.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WLC PRA 60.0 None 10.1021/jm049762l
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 Sodium channel protein type II alpha subunit Activity nan None 10.1021/jm400894u
Rattus norvegicus Sodium channel protein type II alpha subunit Inhibition nan % 10.1021/jm801432r
Rattus norvegicus Voltage-gated calcium channel alpha2/delta subunit 1 IC50 8900.0 nM 10.1016/j.bmcl.2005.05.016
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
Schistosoma mansoni Thioredoxin glutathione reductase Potency 89125.1 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 71.84 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1022 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 0.12 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.126 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus MIC nan None 10.1016/j.ejmech.2019.01.062
Sus scrofa Voltage-dependent calcium channel alpha2delta subunit IC50 70.0 nM 10.1016/j.bmcl.2005.05.016
Sus scrofa Voltage-dependent calcium channel alpha2delta subunit IC50 140.0 nM 10.1016/j.bmcl.2009.10.089
Trypanosoma brucei 6-phospho-1-fructokinase Potency 169.4 nM None
None ADMET Activity nan None 10.1021/acs.jmedchem.0c01964
None ADMET Activity nan None 10.1021/acs.jmedchem.1c00472
None ADMET Activity nan None 10.1021/acs.jmedchem.1c02131
None ADMET BPR 0.64 None 10.1021/jm901036q
None ADMET CL 1.7 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 1.8 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 2.3 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 2.6 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 9.5 mL.min-1.kg-1 10.1002/jps.20373
None ADMET DNAUC 87.72 kg.min/L 10.1080/00498250400028197
None ADMET DNAUC 156.24 kg.min/L 10.1080/00498250400028197
None ADMET DNAUC 290.4 kg.min/L 10.1080/00498250400028197
None ADMET DNAUC 369.82 kg.min/L 10.1080/00498250400028197
None ADMET K(p,uu,brain) 0.14 None 10.1021/jm901036q
None ADMET MRT 7.0 hr 10.1124/dmd.108.020479
None ADMET T1/2 5.0 hr 10.1016/j.bmcl.2019.06.043
None ADMET T1/2 5.3 hr 10.1124/dmd.108.020479
None ADMET Vdss 0.16 L.kg-1 10.1002/jps.20373
None ADMET Vdss 0.68 L.kg-1 10.1002/jps.20373
None ADMET Vdss 0.71 L.kg-1 10.1124/dmd.108.020479
None ADMET Vdss 0.82 L.kg-1 10.1002/jps.20373
None ADMET Vdss 1.2 mL/min/kg 10.1002/jps.20373
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 0.7 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 0.7 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 8.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.4 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 0.8 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 0.8 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Activity 58.0 % None
None NON-PROTEIN TARGET Fu 0.97 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 2.4 % 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) 2.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 2.4 % 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 MPE 11.03 % 10.1016/j.ejmech.2016.07.032
None NON-PROTEIN TARGET MPE 43.66 % 10.1016/j.ejmech.2016.07.032
None NON-PROTEIN TARGET MPE 44.01 % 10.1016/j.ejmech.2016.07.032
None NON-PROTEIN TARGET MPE 45.28 % 10.1016/j.ejmech.2016.07.032
None NON-PROTEIN TARGET MPE 56.94 % 10.1016/j.ejmech.2016.07.032
None NON-PROTEIN TARGET MPE 80.51 % 10.1016/j.ejmech.2016.07.032
None NON-PROTEIN TARGET Potency 10.6 nM None
None NON-PROTEIN TARGET Potency 8407.1 nM None
None NON-PROTEIN TARGET Potency 10583.9 nM None
None NON-PROTEIN TARGET Potency 11875.4 nM None
None No relevant target pKa 3.9 None 10.1124/dmd.110.035998
None No relevant target pKa 4.1 None 10.1021/jm060650z
None No relevant target pKa 10.5 None 10.1124/dmd.110.035998
None No relevant target Solubility 440.6 ug.mL-1 10.1016/j.bmcl.2010.10.068
None No relevant target Solubility 500000.0 nM 10.1016/j.bmcl.2010.10.068
None Unchecked Ac50 3.548 uM None
None Unchecked Ac50 5.623 uM None
None Unchecked Ac50 6.31 uM None
None Unchecked Ac50 8.913 uM None
None Unchecked AC50 3548.1 nM None
None Unchecked AC50 3550.0 nM None
None Unchecked AC50 5623.4 nM None
None Unchecked AC50 6309.6 nM None
None Unchecked AC50 8912.5 nM None
None Unchecked Activity 105.0 None 10.1021/jm00111a053
None Unchecked Activity 145.0 None 10.1021/jm00111a053
None Unchecked Activity 178.0 None 10.1021/jm00111a053
None Unchecked Activity nan None 10.1021/acs.jmedchem.1c00472
None Unchecked Anticonvulsant activity nan None 10.1016/s0960-894x(03)00535-3
None Unchecked Hepatotoxicity (acute) 5.0 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) 3.0 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) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 1.0 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 70.0 nM 10.1016/j.bmcl.2008.10.101
None Unchecked IC50 70.0 nM 10.1021/jm049762l
None Unchecked IC50 80.0 nM 10.1016/S0960-894X(01)80855-6
None Unchecked IC50 87.0 nM 10.1021/jm060650z
None Unchecked IC50 140.0 nM 10.1016/j.bmcl.2009.10.121
None Unchecked IC50 140.0 nM 10.1016/j.bmcl.2011.04.045
None Unchecked IC50 140.0 nM 10.1016/j.bmcl.2011.04.056
None Unchecked IC50 140.0 nM 10.1016/j.bmcl.2011.04.058
None Unchecked IC50 140.0 nM 10.1016/j.ejmech.2013.04.019
None Unchecked IC50 140.0 nM 10.1016/S0960-894X(97)10002-6
None Unchecked IC50 140.0 nM 10.1016/s0960-894x(99)00383-2
None Unchecked IC50 30000.0 nM 10.1016/j.bmcl.2008.10.101
None Unchecked IC50 30000.0 nM 10.1021/jm049762l
None Unchecked IC50 43000.0 nM 10.1016/j.ejmech.2009.12.049
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ki 35000.0 nM 10.1016/j.ejmech.2009.12.049
None Unchecked Ki nan None None
None Unchecked Potency 651.3 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 5011.9 nM None
None Unchecked Potency 5623.4 nM None

Metabolism Information