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name Structure Reference Source Properties Activities Metabolism

selegiline

AlkaPlorer ID: AK099354

Synonym: None

IUPAC Name: (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine

Structure

SMILES: C#CCN(C)[C@H](C)CC1=CC=CC=C1

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InChI: InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1

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InChIKey: MEZLKOACVSPNER-GFCCVEGCSA-N

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Reference

PubChem CID: 26757

SuperNatural Ⅲ: SN0223790-01

NPASS: NPC346034

Source

Species Genus Family Order Class Phylum Kingdom Domain
Clausena anisum-olens Clausena Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 187.286

TPSA？: 3.24

MolLogP？: 2.1826

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Monoamine oxidase SI 0.025 None 10.1021/jm0256124
Bos taurus Monoamine oxidase A IC50 38018.94 nM 10.1016/j.ejmech.2007.12.026
Bos taurus Monoamine oxidase A IC50 38018.94 nM 10.1021/jm060868l
Bos taurus Monoamine oxidase A Ki 3800.0 nM 10.1016/j.bmc.2008.09.072
Bos taurus Monoamine oxidase A Ki 3800.0 nM 10.1021/jm060882y
Bos taurus Monoamine oxidase A Ki 3800.0 nM 10.1021/jm301014y
Bos taurus Monoamine oxidase A Ki 38000.0 nM 10.1021/jm0256124
Bos taurus Monoamine oxidase B IC50 1000.0 nM 10.1016/j.ejmech.2007.12.026
Bos taurus Monoamine oxidase B IC50 1000.0 nM 10.1021/jm060868l
Bos taurus Monoamine oxidase B Ki 970.0 nM 10.1016/j.bmc.2008.09.072
Bos taurus Monoamine oxidase B Ki 970.0 nM 10.1021/jm0256124
Bos taurus Monoamine oxidase B Ki 970.0 nM 10.1021/jm060882y
Bos taurus Monoamine oxidase B Ki 970.0 nM 10.1021/jm301014y
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
Electrophorus electricus Acetylcholinesterase IC50 500000.0 nM 10.1016/j.ejmech.2014.04.078
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1016/j.ejmech.2016.09.041
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1021/acs.jmedchem.5b00958
Equus caballus Cholinesterase IC50 nan None 10.1016/j.ejmech.2016.09.041
Equus caballus Cholinesterase IC50 nan None 10.1021/acs.jmedchem.5b00958
Equus caballus Ferritin light chain Potency 22387.2 nM None
Homo sapiens Acetylcholinesterase IC50 500000.0 nM 10.1016/j.ejmech.2015.10.001
Homo sapiens Acetylcholinesterase IC50 nan None 10.1016/j.ejmech.2016.05.055
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 Alpha-1a adrenergic receptor AC50 12686.4 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 1798.0 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 674.0 nM None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 376.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 172.0 nM None
Homo sapiens Alpha-2c adrenergic receptor AC50 2900.0 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 Alpha-synuclein IC50 270.0 nM 10.1016/j.ejmech.2019.01.045
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Arachidonate 5-lipoxygenase IC50 nan None 10.1016/j.ejmech.2018.07.026
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 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 Butyrylcholinesterase IC50 500000.0 nM 10.1016/j.ejmech.2015.10.001
Homo sapiens Butyrylcholinesterase IC50 nan None 10.1016/j.ejmech.2016.05.055
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 Caspase-3 IC50 100000.0 nM 10.1039/C6MD00228E
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 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 Cholesterol 24-hydroxylase Activity 31.0 % 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 1A2 Ratio IC50 5.0 None 10.1021/tx300075j
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 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Inhibition nan % 10.1021/tx300075j
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 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Ratio IC50 2.0 None 10.1021/tx300075j
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 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 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 beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Glutamate NMDA receptor; GRIN1/GRIN2A IC50 nan None 10.1021/acs.jmedchem.5b00958
Homo sapiens Glutamate NMDA receptor; GRIN1/GRIN2B IC50 nan None 10.1021/acs.jmedchem.5b00958
Homo sapiens HepG2 Activity 84.0 % 10.1021/acs.jmedchem.0c01504
Homo sapiens HepG2 Activity 87.23 % 10.1021/acs.jmedchem.0c01504
Homo sapiens HepG2 Activity 90.0 % 10.1021/acs.jmedchem.0c01504
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 Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 7943.3 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 19.8 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 20.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 20.0 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.2 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.2 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 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fa 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.14 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 1.9 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 7795.8 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 Liver microsomes Activity nan None 10.1021/tx300075j
Homo sapiens Liver microsomes Stability nan % 10.1021/tx300075j
Homo sapiens Lysine-specific histone demethylase 1 IC50 nan None 10.1016/j.bmcl.2021.127993
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 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 14000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A Activity 1.2 % 10.1016/j.bmcl.2015.09.049
Homo sapiens Monoamine oxidase A Activity 8.51 % 10.1016/j.bmcl.2014.12.001
Homo sapiens Monoamine oxidase A Activity 89.96 % 10.1021/acs.jmedchem.0c01504
Homo sapiens Monoamine oxidase A Activity 90.01 % 10.1021/acs.jmedchem.0c01504
Homo sapiens Monoamine oxidase A IC50 67.25 nM 10.1016/j.ejmech.2011.07.017
Homo sapiens Monoamine oxidase A IC50 1200.0 nM 10.1021/jm7009364
Homo sapiens Monoamine oxidase A IC50 1424.0 nM 10.1016/j.ejmech.2018.11.009
Homo sapiens Monoamine oxidase A IC50 1424.0 nM 10.1016/j.ejmech.2019.06.041
Homo sapiens Monoamine oxidase A IC50 1500.0 nM 10.1016/j.bmc.2017.11.036
Homo sapiens Monoamine oxidase A IC50 1700.0 nM 10.1016/j.ejmech.2017.02.059
Homo sapiens Monoamine oxidase A IC50 2000.0 nM 10.1016/j.bmc.2016.06.045
Homo sapiens Monoamine oxidase A IC50 2089.0 nM 10.1021/acs.jmedchem.7b01588
Homo sapiens Monoamine oxidase A IC50 2984.0 nM None
Homo sapiens Monoamine oxidase A IC50 19100.0 nM None
Homo sapiens Monoamine oxidase A IC50 20100.0 nM 10.1016/j.ejmech.2019.111770
Homo sapiens Monoamine oxidase A IC50 29700.0 nM 10.1016/j.bmcl.2022.128746
Homo sapiens Monoamine oxidase A IC50 30000.0 nM 10.1016/j.ejmech.2018.02.015
Homo sapiens Monoamine oxidase A IC50 47900.0 nM 10.1021/acs.jmedchem.5b00958
Homo sapiens Monoamine oxidase A IC50 54300.0 nM 10.1016/j.bmcl.2019.02.030
Homo sapiens Monoamine oxidase A IC50 54350.0 nM 10.1016/j.bmcl.2019.02.008
Homo sapiens Monoamine oxidase A IC50 55400.0 nM 10.1016/j.ejmech.2015.10.001
Homo sapiens Monoamine oxidase A IC50 60000.0 nM 10.1016/j.ejmech.2015.08.055
Homo sapiens Monoamine oxidase A IC50 62663.8 nM 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase A IC50 62820.0 nM 10.1016/j.bmcl.2022.128917
Homo sapiens Monoamine oxidase A IC50 63600.0 nM 10.1021/jm501501a
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmc.2009.12.029
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmc.2010.05.070
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmc.2010.06.007
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmc.2014.03.042
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmcl.2009.04.085
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmcl.2009.07.039
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmcl.2010.07.013
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmcl.2011.05.074
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmcl.2013.07.035
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.bmcl.2014.12.001
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2009.11.003
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2010.07.009
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2011.01.033
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2011.12.027
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2012.10.032
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2012.11.006
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2013.02.009
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2016.03.081
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1016/j.ejmech.2017.10.050
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/acs.jnatprod.6b00391
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/jm100120s
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/jm1013709
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/jm200716y
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/jm800132g
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/jm800656v
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/jm801496u
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1021/jm801590u
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1039/C0MD00014K
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1039/C1MD00221J
Homo sapiens Monoamine oxidase A IC50 67250.0 nM 10.1039/C6MD00228E
Homo sapiens Monoamine oxidase A IC50 67608.3 nM 10.1016/j.bmcl.2010.09.061
Homo sapiens Monoamine oxidase A IC50 68700.0 nM 10.1016/j.ejmech.2016.05.055
Homo sapiens Monoamine oxidase A IC50 68700.0 nM 10.1016/j.ejmech.2018.07.026
Homo sapiens Monoamine oxidase A IC50 68700.0 nM 10.1016/j.ejmech.2018.07.056
Homo sapiens Monoamine oxidase A IC50 68730.0 nM 10.1016/j.bmcl.2010.03.081
Homo sapiens Monoamine oxidase A IC50 68730.0 nM 10.1016/j.bmcl.2011.11.020
Homo sapiens Monoamine oxidase A IC50 68730.0 nM 10.1016/j.ejmech.2011.09.045
Homo sapiens Monoamine oxidase A IC50 68730.0 nM 10.1016/j.ejmech.2017.07.045
Homo sapiens Monoamine oxidase A IC50 68730.0 nM 10.1021/acs.jmedchem.7b00918
Homo sapiens Monoamine oxidase A IC50 68730.0 nM 10.1021/jm2004267
Homo sapiens Monoamine oxidase A IC50 68730.0 nM 10.1039/C7MD00311K
Homo sapiens Monoamine oxidase A IC50 70200.0 nM 10.1016/j.bmc.2015.04.009
Homo sapiens Monoamine oxidase A IC50 70200.0 nM 10.1021/jm300978h
Homo sapiens Monoamine oxidase A IC50 81500.0 nM 10.1039/C5MD00357A
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.bmc.2013.09.044
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2016.09.041
Homo sapiens Monoamine oxidase A IC50 nan None 10.1021/jm801590u
Homo sapiens Monoamine oxidase A Inhibition 94.2 % 10.1016/j.ejmech.2009.04.035
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.bmc.2014.12.010
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.bmc.2016.02.045
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.bmcl.2011.05.057
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.bmcl.2021.127993
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.ejmech.2011.12.027
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.ejmech.2021.113558
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1021/acsmedchemlett.5b00326
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1039/C8MD00196K
Homo sapiens Monoamine oxidase A Ki 3600.0 nM 10.1039/C8MD00196K
Homo sapiens Monoamine oxidase A Ki 9060.0 nM 10.1016/j.bmcl.2011.05.057
Homo sapiens Monoamine oxidase A Ki 9060.0 nM 10.1016/j.ejmech.2013.09.010
Homo sapiens Monoamine oxidase A Ki 16890.0 nM 10.1021/acsmedchemlett.5b00326
Homo sapiens Monoamine oxidase A Ki 24060.0 nM 10.1039/C6MD00228E
Homo sapiens Monoamine oxidase A Ki 28060.0 nM 10.1021/acs.jmedchem.0c01504
Homo sapiens Monoamine oxidase A Ki 67250.0 nM 10.1016/j.bmcl.2011.02.030
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Monoamine oxidase B Activity 0.7 % 10.1016/j.bmcl.2013.08.071
Homo sapiens Monoamine oxidase B Activity 0.8 % 10.1016/j.bmcl.2012.10.070
Homo sapiens Monoamine oxidase B Activity 1.6 % 10.1016/j.bmcl.2015.03.040
Homo sapiens Monoamine oxidase B Activity 1.9 % 10.1016/j.ejmech.2017.10.050
Homo sapiens Monoamine oxidase B Activity 2.0 % 10.1016/j.bmcl.2013.01.003
Homo sapiens Monoamine oxidase B Activity 2.0 % 10.1016/j.bmcl.2013.06.050
Homo sapiens Monoamine oxidase B Activity 2.1 % 10.1016/j.bmcl.2012.08.113
Homo sapiens Monoamine oxidase B Activity 3.0 % 10.1016/j.bmc.2012.10.005
Homo sapiens Monoamine oxidase B Activity 3.0 % 10.1016/j.bmc.2018.09.032
Homo sapiens Monoamine oxidase B Activity 3.4 % 10.1016/j.bmcl.2012.07.025
Homo sapiens Monoamine oxidase B Activity 3.4 % 10.1016/j.bmcl.2015.09.049
Homo sapiens Monoamine oxidase B Activity 3.6 % 10.1016/j.bmcl.2022.128917
Homo sapiens Monoamine oxidase B Activity 3.9 % 10.1016/j.bmcl.2022.128746
Homo sapiens Monoamine oxidase B Activity 4.8 % 10.1016/j.bmcl.2016.01.034
Homo sapiens Monoamine oxidase B Activity 5.0 % 10.1016/j.bmcl.2015.09.049
Homo sapiens Monoamine oxidase B Activity 5.0 % 10.1016/j.ejmech.2016.11.016
Homo sapiens Monoamine oxidase B Activity 7.0 % 10.1016/j.bmcl.2014.04.021
Homo sapiens Monoamine oxidase B Activity 7.0 % 10.1016/j.bmcl.2019.126677
Homo sapiens Monoamine oxidase B Activity 11.4 % 10.1039/C7MD00311K
Homo sapiens Monoamine oxidase B Activity 12.73 % 10.1016/j.ejmech.2017.07.045
Homo sapiens Monoamine oxidase B Activity 51.8 % 10.1021/acs.jmedchem.0c01504
Homo sapiens Monoamine oxidase B Activity 52.4 % 10.1021/acs.jmedchem.0c01504
Homo sapiens Monoamine oxidase B Delta Tm 9.9 degrees C 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B IC50 0.017 nM 10.1016/j.bmc.2010.07.034
Homo sapiens Monoamine oxidase B IC50 1.3 nM 10.1016/j.bmc.2013.05.066
Homo sapiens Monoamine oxidase B IC50 1.3 nM 10.1016/j.bmc.2013.10.004
Homo sapiens Monoamine oxidase B IC50 3.9 nM 10.1016/j.ejmech.2018.02.015
Homo sapiens Monoamine oxidase B IC50 5.5 nM 10.1016/j.ejmech.2018.11.009
Homo sapiens Monoamine oxidase B IC50 5.5 nM 10.1016/j.ejmech.2019.06.041
Homo sapiens Monoamine oxidase B IC50 6.13 nM 10.1016/j.bmc.2013.09.044
Homo sapiens Monoamine oxidase B IC50 6.13 nM 10.1021/jm400336x
Homo sapiens Monoamine oxidase B IC50 6.8 nM 10.1016/j.bmcl.2018.10.048
Homo sapiens Monoamine oxidase B IC50 7.0 nM 10.1016/j.ejmech.2017.02.059
Homo sapiens Monoamine oxidase B IC50 7.0 nM 10.1016/j.ejmech.2020.112650
Homo sapiens Monoamine oxidase B IC50 7.0 nM 10.1021/acs.jmedchem.7b01588
Homo sapiens Monoamine oxidase B IC50 7.0 nM 10.1021/jm7009364
Homo sapiens Monoamine oxidase B IC50 8.0 nM 10.1016/j.ejmech.2016.09.041
Homo sapiens Monoamine oxidase B IC50 9.0 nM 10.1016/j.bmc.2015.08.012
Homo sapiens Monoamine oxidase B IC50 10.0 nM 10.1016/j.ejmech.2018.11.051
Homo sapiens Monoamine oxidase B IC50 11.0 nM 10.1016/j.bmc.2017.11.036
Homo sapiens Monoamine oxidase B IC50 12.1 nM 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase B IC50 13.0 nM 10.1016/j.bmc.2012.02.056
Homo sapiens Monoamine oxidase B IC50 13.0 nM 10.1016/j.bmc.2013.08.019
Homo sapiens Monoamine oxidase B IC50 14.8 nM 10.1016/j.ejmech.2011.01.033
Homo sapiens Monoamine oxidase B IC50 16.73 nM 10.1021/acs.jmedchem.7b00918
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.bmcl.2010.03.081
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.bmcl.2010.11.128
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.bmcl.2011.11.020
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.ejmech.2011.09.045
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.ejmech.2016.05.055
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.ejmech.2017.07.045
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.ejmech.2018.07.026
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1016/j.ejmech.2018.07.056
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1021/jm2004267
Homo sapiens Monoamine oxidase B IC50 17.0 nM 10.1039/C7MD00311K
Homo sapiens Monoamine oxidase B IC50 18.0 nM 10.1016/j.bmc.2016.06.045
Homo sapiens Monoamine oxidase B IC50 18.2 nM 10.1021/jm501501a
Homo sapiens Monoamine oxidase B IC50 18.5 nM 10.1016/j.bmc.2015.04.009
Homo sapiens Monoamine oxidase B IC50 18.5 nM 10.1021/jm300978h
Homo sapiens Monoamine oxidase B IC50 19.0 nM 10.1016/j.bmc.2009.12.029
Homo sapiens Monoamine oxidase B IC50 19.0 nM 10.1016/j.ejmech.2011.12.027
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.bmc.2014.03.042
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.bmc.2018.05.042
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.bmcl.2009.04.085
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.bmcl.2011.05.074
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.bmcl.2013.07.035
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.bmcl.2014.12.001
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.ejmech.2010.07.009
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.ejmech.2011.07.017
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.ejmech.2012.10.032
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.ejmech.2012.11.006
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.ejmech.2016.03.081
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1016/j.ejmech.2017.10.050
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1021/acs.jnatprod.6b00391
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1021/jm1013709
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1021/jm200716y
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1021/jm800132g
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1021/jm800656v
Homo sapiens Monoamine oxidase B IC50 19.6 nM 10.1039/C0MD00014K
Homo sapiens Monoamine oxidase B IC50 19.95 nM 10.1016/j.bmcl.2010.09.061
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1016/j.bmc.2010.05.070
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1016/j.bmcl.2022.128917
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1016/j.ejmech.2013.02.009
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1016/j.ejmech.2015.10.001
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1021/jm100120s
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1021/jm801496u
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1021/jm801590u
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1039/C6MD00228E
Homo sapiens Monoamine oxidase B IC50 20.0 nM 10.1039/C7MD00569E
Homo sapiens Monoamine oxidase B IC50 33.0 nM 10.1016/j.bmcl.2019.02.008
Homo sapiens Monoamine oxidase B IC50 35.6 nM 10.1039/C5MD00357A
Homo sapiens Monoamine oxidase B IC50 36.0 nM 10.1016/j.ejmech.2021.114097
Homo sapiens Monoamine oxidase B IC50 38.6 nM 10.1016/j.ejmech.2019.111770
Homo sapiens Monoamine oxidase B IC50 40.0 nM 10.1016/j.ejmech.2017.03.009
Homo sapiens Monoamine oxidase B IC50 40.0 nM 10.1016/j.ejmech.2020.112787
Homo sapiens Monoamine oxidase B IC50 42.0 nM 10.1016/j.ejmech.2018.02.015
Homo sapiens Monoamine oxidase B IC50 42.84 nM 10.1016/j.ejmech.2021.113558
Homo sapiens Monoamine oxidase B IC50 44.0 nM 10.1016/j.ejmech.2017.12.013
Homo sapiens Monoamine oxidase B IC50 45.0 nM 10.1016/j.bmcl.2012.06.058
Homo sapiens Monoamine oxidase B IC50 48.0 nM 10.1021/jm701575k
Homo sapiens Monoamine oxidase B IC50 56.0 nM 10.1016/j.bmc.2012.10.050
Homo sapiens Monoamine oxidase B IC50 60.0 nM 10.1016/j.bmcl.2019.02.030
Homo sapiens Monoamine oxidase B IC50 70.0 nM 10.1016/j.bmcl.2021.127993
Homo sapiens Monoamine oxidase B IC50 71.0 nM 10.1016/j.bmc.2018.10.037
Homo sapiens Monoamine oxidase B IC50 79.0 nM 10.1016/j.bmc.2018.09.032
Homo sapiens Monoamine oxidase B IC50 79.0 nM 10.1016/j.bmcl.2012.10.070
Homo sapiens Monoamine oxidase B IC50 79.0 nM 10.1016/j.bmcl.2013.01.003
Homo sapiens Monoamine oxidase B IC50 79.0 nM 10.1016/j.bmcl.2013.08.071
Homo sapiens Monoamine oxidase B IC50 79.0 nM 10.1016/j.bmcl.2019.126677
Homo sapiens Monoamine oxidase B IC50 79.0 nM 10.1016/j.ejmech.2017.04.055
Homo sapiens Monoamine oxidase B IC50 85.2 nM 10.1021/jm200710b
Homo sapiens Monoamine oxidase B IC50 94.0 nM 10.1016/j.ejmech.2017.09.038
Homo sapiens Monoamine oxidase B IC50 95.0 nM 10.1016/j.bmcl.2022.128746
Homo sapiens Monoamine oxidase B IC50 221.0 nM 10.1021/acs.jmedchem.0c01663
Homo sapiens Monoamine oxidase B IC50 270.0 nM 10.1021/acs.jmedchem.5b00958
Homo sapiens Monoamine oxidase B IC50 321.0 nM 10.1016/j.bmc.2016.02.045
Homo sapiens Monoamine oxidase B IC50 334.0 nM 10.1021/jm301686s
Homo sapiens Monoamine oxidase B IC50 480.0 nM None
Homo sapiens Monoamine oxidase B IC50 2820.0 nM 10.1016/j.bmc.2014.12.010
Homo sapiens Monoamine oxidase B IC50 2890.0 nM 10.1016/j.ejmech.2015.08.055
Homo sapiens Monoamine oxidase B IC50 9700.0 nM None
Homo sapiens Monoamine oxidase B IC50 10960.0 nM 10.1016/j.bmc.2013.10.004
Homo sapiens Monoamine oxidase B IC50 14800.0 nM 10.1039/C1MD00221J
Homo sapiens Monoamine oxidase B IC50 19600.0 nM 10.1016/j.bmc.2010.06.007
Homo sapiens Monoamine oxidase B IC50 19600.0 nM 10.1016/j.bmcl.2010.07.013
Homo sapiens Monoamine oxidase B IC50 19600.0 nM 10.1016/j.ejmech.2009.11.003
Homo sapiens Monoamine oxidase B Inhibition 3.9 % 10.1016/j.ejmech.2017.04.055
Homo sapiens Monoamine oxidase B Inhibition 4.8 % 10.1016/j.ejmech.2009.04.035
Homo sapiens Monoamine oxidase B Inhibition 20.7 % 10.1016/j.ejmech.2009.04.035
Homo sapiens Monoamine oxidase B Inhibition 42.0 % 10.1016/j.ejmech.2022.114818
Homo sapiens Monoamine oxidase B Inhibition 47.72 % 10.1021/jm2004267
Homo sapiens Monoamine oxidase B Inhibition 48.67 % 10.1016/j.bmc.2010.05.070
Homo sapiens Monoamine oxidase B Inhibition 48.67 % 10.1021/jm800132g
Homo sapiens Monoamine oxidase B Inhibition 49.14 % 10.1016/j.bmc.2010.05.070
Homo sapiens Monoamine oxidase B Inhibition 49.14 % 10.1021/jm800132g
Homo sapiens Monoamine oxidase B Inhibition 50.78 % 10.1021/jm801590u
Homo sapiens Monoamine oxidase B Inhibition 51.45 % 10.1016/j.bmc.2009.12.029
Homo sapiens Monoamine oxidase B Inhibition 51.45 % 10.1016/j.bmc.2010.06.007
Homo sapiens Monoamine oxidase B Inhibition 51.45 % 10.1016/j.ejmech.2009.11.003
Homo sapiens Monoamine oxidase B Inhibition 51.75 % 10.1021/jm801590u
Homo sapiens Monoamine oxidase B Inhibition 52.05 % 10.1016/j.bmc.2009.12.029
Homo sapiens Monoamine oxidase B Inhibition 52.05 % 10.1016/j.bmc.2010.06.007
Homo sapiens Monoamine oxidase B Inhibition 52.05 % 10.1016/j.ejmech.2009.11.003
Homo sapiens Monoamine oxidase B Inhibition 53.08 % 10.1016/j.ejmech.2012.11.006
Homo sapiens Monoamine oxidase B Inhibition 53.28 % 10.1021/jm1013709
Homo sapiens Monoamine oxidase B Inhibition 53.62 % 10.1021/jm2004267
Homo sapiens Monoamine oxidase B Inhibition 54.63 % 10.1016/j.ejmech.2012.11.006
Homo sapiens Monoamine oxidase B Inhibition 56.34 % 10.1021/jm1013709
Homo sapiens Monoamine oxidase B Inhibition 80.0 % 10.1016/j.bmc.2015.08.012
Homo sapiens Monoamine oxidase B Inhibition 95.63 % 10.1016/j.ejmech.2021.114097
Homo sapiens Monoamine oxidase B Inhibition 96.11 % 10.1039/d0md00150c
Homo sapiens Monoamine oxidase B Inhibition 97.4 % 10.1016/j.bmc.2013.05.066
Homo sapiens Monoamine oxidase B Inhibition 98.26 % 10.1039/d0md00150c
Homo sapiens Monoamine oxidase B Inhibition 99.39 % 10.1016/j.ejmech.2021.114097
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.bmc.2016.06.045
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.bmcl.2011.05.057
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2011.12.027
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2012.10.032
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2018.07.056
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2018.11.009
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2019.06.041
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1021/acs.jmedchem.8b00357
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1021/jm400336x
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1039/C7MD00569E
Homo sapiens Monoamine oxidase B Kd 58.9 nM 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B Ki 3.3 nM 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B Ki 3.9 nM 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B Ki 9.0 nM 10.1039/C6MD00228E
Homo sapiens Monoamine oxidase B Ki 55.0 nM 10.1016/j.ejmech.2013.07.005
Homo sapiens Monoamine oxidase B Ki 90.0 nM 10.1016/j.ejmech.2013.09.010
Homo sapiens Monoamine oxidase B Ki 91.0 nM 10.1016/j.bmcl.2011.05.057
Homo sapiens Monoamine oxidase B Ki 255.0 nM 10.1039/C8MD00196K
Homo sapiens Monoamine oxidase B Ki 380.0 nM 10.1021/acsmedchemlett.5b00326
Homo sapiens Monoamine oxidase B Ki 970.0 nM 10.1016/j.bmcl.2005.07.043
Homo sapiens Monoamine oxidase B Ki 970.0 nM 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase B Ki 970.0 nM 10.1021/jm050172c
Homo sapiens Monoamine oxidase B Ki 1930.0 nM 10.1021/acs.jmedchem.0c01504
Homo sapiens Monoamine oxidase B Ki 1960.0 nM 10.1016/j.bmcl.2011.02.030
Homo sapiens Monoamine oxidase B Ki 5680.0 nM 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase B Kinact 2.56 /min 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase B Ratio 0.45 /min/microM 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase B TDI nan None 10.1021/acs.jmedchem.7b00918
Homo sapiens Monoamine oxidase B TDI nan None 10.1039/C6MD00228E
Homo sapiens Motilin receptor AC50 10000.0 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 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 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 P-glycoprotein 1 Activity nan None 10.1124/jpet.102.039255
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 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 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 84.4 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 Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None 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 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 Whole blood Retention_time 3.55 min 10.1007/s00044-012-9977-1
Mus musculus Monoamine oxidase Activity 0.84 nM 10.1021/jm960477e
Mus musculus Monoamine oxidase Activity 1.36 nM 10.1021/jm960477e
Mus musculus Monoamine oxidase ED50 2.0 umol.kg-1 10.1021/jm00361a017
Mus musculus Monoamine oxidase ED50 89.0 umol.kg-1 10.1021/jm00361a017
Mus musculus Monoamine oxidase Inhibition 25.0 % 10.1021/jm00361a017
Mus musculus Monoamine oxidase Ratio 62.0 None 10.1021/jm00098a017
Mus musculus Monoamine oxidase A Activity 0.64 nM 10.1021/jm960477e
Mus musculus Monoamine oxidase A Activity 1.06 nM 10.1021/jm960477e
Mus musculus Monoamine oxidase B Activity 0.46 nM 10.1021/jm960477e
Mus musculus Monoamine oxidase B Activity 0.7 nM 10.1021/jm960477e
Mus musculus Monoamine oxidase B Inhibition 65.0 % 10.1021/jm00361a017
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2013.02.009
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2019.04.016
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.7b01588
Mus musculus Mus musculus ED50 1.8 mg.kg-1 10.1021/jm00401a031
Mus musculus Mus musculus ED50 4.9 mg.kg-1 10.1021/jm00401a031
Mus musculus Mus musculus ID50 2.3 umol.kg-1 10.1021/jm00098a017
Mus musculus Mus musculus ID50 142.6 umol.kg-1 10.1021/jm00098a017
Mus musculus Mus musculus LD50 200.0 mg.kg-1 10.1021/jm00401a031
Mus musculus Mus musculus Na+ restoration 79.71 % 10.1016/s0960-894x(01)00549-2
Mus musculus Mus musculus Potentiation 5.0 uM kg-1 10.1021/jm00361a017
Mus musculus Mus musculus Relative activity 32.0 % 10.1021/jm00098a017
Mus musculus Mus musculus Relative activity 34.0 % 10.1021/jm00098a017
Mus musculus Mus musculus Relative activity 40.0 % 10.1021/jm00098a017
Mus musculus Mus musculus Relative activity 49.0 % 10.1021/jm00098a017
Mus musculus Mus musculus Relative activity 68.0 % 10.1021/jm00098a017
Mus musculus Mus musculus Relative activity 73.0 % 10.1021/jm00098a017
Mus musculus Mus musculus Relative activity 90.0 % 10.1021/jm00098a017
Mus musculus Mus musculus Relative activity 99.0 % 10.1021/jm00098a017
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryctolagus cuniculus Glyceraldehyde-3-phosphate dehydrogenase Activity nan None 10.1038/nchembio833
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 Cytochrome P450 2B1 Ki 1050.0 nM 10.2174/138920005774330639
Rattus norvegicus Cytochrome P450 2B1 kinact 0.23 min-1 10.2174/138920005774330639
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate NMDA receptor Inhibition nan % 10.1016/j.ejmech.2014.04.039
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 Monoamine oxidase IC50 13.0 nM 10.1021/jm00361a017
Rattus norvegicus Monoamine oxidase IC50 25.0 nM 10.1021/jm00380a007
Rattus norvegicus Monoamine oxidase IC50 280.0 nM 10.1021/jm00098a017
Rattus norvegicus Monoamine oxidase IC50 650.0 nM 10.1021/jm00361a017
Rattus norvegicus Monoamine oxidase Ratio 66.0 None 10.1021/jm00098a017
Rattus norvegicus Monoamine oxidase Ratio 171.0 None 10.1021/jm020120c
Rattus norvegicus Monoamine oxidase Selectivity 100.0 None 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase Selectivity 100.0 None 10.1021/jm00380a007
Rattus norvegicus Monoamine oxidase A IC50 3.9 10^-6nmol 10.1016/j.ejmech.2019.111893
Rattus norvegicus Monoamine oxidase A IC50 18.0 nM 10.1016/j.bmc.2014.12.063
Rattus norvegicus Monoamine oxidase A IC50 20.0 nM 10.1016/j.ejmech.2014.04.078
Rattus norvegicus Monoamine oxidase A IC50 516.0 nM 10.1016/s0960-894x(01)00549-2
Rattus norvegicus Monoamine oxidase A IC50 700.0 nM 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase A IC50 800.0 nM 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase A IC50 969.0 nM 10.1016/j.ejmech.2018.11.009
Rattus norvegicus Monoamine oxidase A IC50 1200.0 nM 10.1021/jm020120c
Rattus norvegicus Monoamine oxidase A IC50 1202.26 nM 10.1021/jm201692d
Rattus norvegicus Monoamine oxidase A IC50 3800.0 nM 10.1021/jm00098a017
Rattus norvegicus Monoamine oxidase A IC50 90550.0 nM 10.1016/j.bmc.2009.07.033
Rattus norvegicus Monoamine oxidase A IC50 100000.0 nM 10.1016/j.bmcl.2012.02.090
Rattus norvegicus Monoamine oxidase A IC50 499010.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Monoamine oxidase A IC50 499010.0 nM 10.1016/j.bmcl.2008.10.084
Rattus norvegicus Monoamine oxidase A INH 781.0 nM 10.1016/j.bmc.2014.12.063
Rattus norvegicus Monoamine oxidase A Inhibition 2.0 % 10.1021/jm00024a006
Rattus norvegicus Monoamine oxidase A Inhibition 3.0 % 10.1021/jm00024a006
Rattus norvegicus Monoamine oxidase A Inhibition 5.0 % 10.1021/jm00024a006
Rattus norvegicus Monoamine oxidase A Ki 10566.0 nM 10.1016/j.bmcl.2011.02.030
Rattus norvegicus Monoamine oxidase A Ki 15700.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Monoamine oxidase A Ki 38000.0 nM 10.1021/jm050172c
Rattus norvegicus Monoamine oxidase A Ki 105660.0 nM 10.1016/j.bmc.2009.07.033
Rattus norvegicus Monoamine oxidase A Ki 105660.0 nM 10.1016/j.bmcl.2009.11.015
Rattus norvegicus Monoamine oxidase A Kic 105660.0 nM 10.1016/j.bmc.2010.01.043
Rattus norvegicus Monoamine oxidase B Control 13.0 % 10.1021/jm00401a031
Rattus norvegicus Monoamine oxidase B IC50 2.76 nM 10.1016/s0960-894x(01)00549-2
Rattus norvegicus Monoamine oxidase B IC50 3.0 10^-8nmol 10.1016/j.ejmech.2019.111893
Rattus norvegicus Monoamine oxidase B IC50 6.11 nM 10.1016/j.ejmech.2018.11.009
Rattus norvegicus Monoamine oxidase B IC50 6.7 nM 10.1016/j.ejmech.2014.04.078
Rattus norvegicus Monoamine oxidase B IC50 6.74 nM 10.1021/jm400336x
Rattus norvegicus Monoamine oxidase B IC50 7.0 nM 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase B IC50 7.0 nM 10.1021/jm020120c
Rattus norvegicus Monoamine oxidase B IC50 7.079 nM 10.1021/jm201692d
Rattus norvegicus Monoamine oxidase B IC50 8.0 nM 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase B IC50 9.4 nM 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase B IC50 9.9 nM 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase B IC50 13.91 nM 10.1016/j.bmcl.2012.02.090
Rattus norvegicus Monoamine oxidase B IC50 52.0 nM 10.1021/jm00098a017
Rattus norvegicus Monoamine oxidase B IC50 160.0 nM 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase B IC50 1600.0 nM 10.1016/j.bmc.2009.07.033
Rattus norvegicus Monoamine oxidase B IC50 1860.0 nM 10.1021/acs.jmedchem.6b00297
Rattus norvegicus Monoamine oxidase B IC50 2010.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Monoamine oxidase B IC50 2010.0 nM 10.1016/j.bmcl.2008.10.084
Rattus norvegicus Monoamine oxidase B INH 200.0 nM 10.1016/j.bmc.2014.12.063
Rattus norvegicus Monoamine oxidase B Inhibition 21.0 % 10.1021/jm00061a006
Rattus norvegicus Monoamine oxidase B Inhibition 81.0 % 10.1021/jm00024a006
Rattus norvegicus Monoamine oxidase B Inhibition 83.0 % 10.1021/jm00024a006
Rattus norvegicus Monoamine oxidase B Inhibition 89.0 % 10.1021/jm00024a006
Rattus norvegicus Monoamine oxidase B Ki 1350.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Monoamine oxidase B Ki 1350.0 nM 10.1016/j.bmc.2009.07.033
Rattus norvegicus Monoamine oxidase B Ki 1350.0 nM 10.1016/j.bmcl.2009.11.015
Rattus norvegicus Monoamine oxidase B Ki 1350.0 nM 10.1016/j.bmcl.2011.02.030
Rattus norvegicus Monoamine oxidase B Kic 1350.0 nM 10.1016/j.bmc.2010.01.043
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma Fu 0.13 None 10.1021/jm901371v
Rattus norvegicus Rattus norvegicus Activity 36.0 % 10.1016/j.ejmech.2013.11.035
Rattus norvegicus Rattus norvegicus Activity 37.0 % 10.1021/jm201692d
Rattus norvegicus Rattus norvegicus Activity 83.0 % 10.1021/jm201692d
Rattus norvegicus Rattus norvegicus Activity 96.0 % 10.1016/j.ejmech.2013.11.035
Rattus norvegicus Rattus norvegicus Activity 110.0 % 10.1021/jm201692d
Rattus norvegicus Rattus norvegicus Activity 145.0 % 10.1021/jm201692d
Rattus norvegicus Rattus norvegicus Activity 146.0 % 10.1016/j.ejmech.2013.11.035
Rattus norvegicus Rattus norvegicus ED50 0.3 uM 10.1016/j.ejmech.2019.111893
Rattus norvegicus Rattus norvegicus ED50 26.3 umol.kg-1 10.1021/jm00098a017
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 SARS-CoV-2 Hit score 0.3132 None 10.1101/2020.04.21.054387
None ADMET AUC 242.02 ng.hr.mL-1 10.1021/acs.jmedchem.7b01588
None ADMET AUC 1387.03 ng.hr.mL-1 10.1021/acs.jmedchem.7b01588
None ADMET CL 20.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Cmax 3037.54 nM 10.1021/acs.jmedchem.7b01588
None ADMET Cmax 22526.56 nM 10.1021/acs.jmedchem.7b01588
None ADMET delta logD -0.89 None 10.1021/jm0000564
None ADMET F 20.0 % 10.1021/jm0000564
None ADMET Kp 5.73 None 10.1021/acs.jmedchem.7b01588
None ADMET MRT 1.6 hr 10.1124/dmd.108.020479
None ADMET PPB 72.91 % 10.6019/CHEMBL3301361
None ADMET Ratio 0.73 None 10.1021/acs.jmedchem.7b01588
None ADMET Ratio 0.8 None 10.1021/acs.jmedchem.7b01588
None ADMET Ratio 0.82 None 10.1021/acs.jmedchem.7b01588
None ADMET Ratio 0.83 None 10.1021/acs.jmedchem.7b01588
None ADMET Stability 55.0 % 10.1021/acs.jmedchem.7b01588
None ADMET Stability 61.0 % 10.1021/acs.jmedchem.7b01588
None ADMET Stability nan % 10.1021/acs.jmedchem.7b01588
None ADMET T1/2 0.29 hr 10.1021/acs.jmedchem.7b01588
None ADMET T1/2 0.56 hr 10.1021/acs.jmedchem.7b01588
None ADMET T1/2 1.3 hr 10.1124/dmd.108.020479
None ADMET Tmax 0.0833 hr 10.1021/acs.jmedchem.7b01588
None ADMET Uptake 0.057 % 10.1021/jm00169a034
None ADMET Vdss 1.9 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 2.2 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 1.8 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 1.0 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 5.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 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 0.0 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 0.4 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 1.5 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Molecular identity unknown Activity 77.0 % 10.1016/j.ejmech.2014.04.039
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2014.06.034
None NON-PROTEIN TARGET Fu 0.13 None 10.1124/dmd.108.020479
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) 2.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 4.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None No relevant target Activity nan None 10.1016/j.bmc.2015.04.009
None No relevant target Activity nan None 10.1016/j.ejmech.2016.05.055
None No relevant target IC50 nan None 10.1016/j.ejmech.2018.07.026
None No relevant target LogD 0.62 None 10.1021/jm0000564
None No relevant target LogD 2.7 None 10.1021/jm0100990
None No relevant target LogD 3.6 None 10.1021/jm801441s
None No relevant target LogD 3.7 None 10.1021/jm070375w
None No relevant target LogP 2.64 None 10.1016/j.bmcl.2014.12.001
None No relevant target LogP 2.9 None 10.1021/jm801441s
None No relevant target LogP 3.03 None 10.1021/jm801441s
None No relevant target LogP 3.22 None 10.1021/jm801441s
None No relevant target pKa 7.48 None 10.1007/s11095-013-1232-z
None No relevant target pKa 7.48 None 10.1021/jm070524a
None No relevant target pKa 7.69 None 10.1021/jm070375w
None No relevant target pKa 7.69 None 10.1021/jm801441s
None No relevant target pKa 9.2 None 10.1021/jm0000564
None No relevant target Solubility 575.0 ug.mL-1 10.1016/j.bmc.2010.08.003
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Activity 83.0 % 10.1021/jm070524a
None Unchecked Activity 105.0 % 10.1016/j.bmcl.2013.03.117
None Unchecked Activity nan None 10.1016/j.bmcl.2013.03.117
None Unchecked Activity nan None 10.1016/j.ejmech.2021.113558
None Unchecked A-selectivity 0.025 None 10.1021/jm050172c
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) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 1614.0 nM None
None Unchecked IC50 nan None None
None Unchecked Inhibition 85.5 % 10.1016/j.bmc.2009.11.017
None Unchecked Inhibition 93.33 % 10.1016/j.ejmech.2014.04.039
None Unchecked Inhibition nan % 10.1016/j.ejmech.2014.04.039
None Unchecked Ki 1000.0 nM 10.1021/acs.jmedchem.9b01617
None Unchecked Ki 1076.0 nM None
None Unchecked Ki 1900.0 nM 10.1016/j.bmcl.2008.10.084
None Unchecked Ki nan None None
None Unchecked Kinact 0.23 /min 10.1021/acs.jmedchem.9b01617
None Unchecked Potency 12589.3 nM None
None Unchecked Ratio 0.66 None 10.1021/jm960477e
None Unchecked Ratio 0.72 None 10.1021/jm960477e
None Unchecked Ratio 45.4 None 10.1021/jm00098a017
None Unchecked Ratio IC50 0.0002 None 10.1039/C6MD00228E
None Unchecked Ratio IC50 0.00025 None 10.1016/j.ejmech.2011.09.045
None Unchecked Ratio IC50 0.00029 None 10.1039/C0MD00014K
None Unchecked Ratio IC50 0.0004 None 10.1016/j.ejmech.2015.10.001
None Unchecked Ratio IC50 0.0012 None 10.1016/j.ejmech.2015.10.001
None Unchecked Ratio IC50 0.05 None 10.1016/j.ejmech.2015.08.055
None Unchecked Ratio IC50 1.4 None 10.1021/jm400336x
None Unchecked Ratio IC50 3.0 None 10.1016/j.ejmech.2014.04.078
None Unchecked Ratio IC50 3.431 None 10.1016/j.bmcl.2011.05.074
None Unchecked Ratio IC50 3.539 None 10.1016/j.bmc.2009.12.029
None Unchecked Ratio IC50 4.043 None 10.1016/j.bmcl.2011.11.020
None Unchecked Ratio IC50 4.043 None 10.1039/C7MD00311K
None Unchecked Ratio IC50 20.76 None 10.1016/j.ejmech.2015.08.055
None Unchecked Ratio IC50 111.1 None 10.1016/j.bmc.2016.06.045
None Unchecked Ratio IC50 130.0 None 10.1016/j.bmc.2017.11.036
None Unchecked Ratio IC50 187.0 None 10.1016/j.bmc.2016.02.045
None Unchecked Ratio IC50 259.0 None 10.1016/j.ejmech.2018.11.009
None Unchecked Ratio IC50 259.0 None 10.1016/j.ejmech.2019.06.041
None Unchecked Ratio IC50 313.0 None 10.1016/j.bmcl.2022.128746
None Unchecked Ratio IC50 522.0 None 10.1016/j.ejmech.2019.111770
None Unchecked Ratio IC50 710.0 None 10.1016/j.ejmech.2018.02.015
None Unchecked Ratio IC50 905.0 None 10.1016/j.bmcl.2019.02.030
None Unchecked Ratio IC50 1647.0 None 10.1016/j.bmcl.2019.02.008
None Unchecked Ratio IC50 2289.0 None 10.1039/C5MD00357A
None Unchecked Ratio IC50 3141.0 None 10.1016/j.bmcl.2022.128917
None Unchecked Ratio IC50 3362.0 None 10.1016/j.bmcl.2013.07.035
None Unchecked Ratio IC50 3362.0 None 10.1021/jm100120s
None Unchecked Ratio IC50 3362.0 None 10.1021/jm801496u
None Unchecked Ratio IC50 3362.0 None 10.1021/jm801590u
None Unchecked Ratio IC50 3363.0 None 10.1016/j.bmc.2010.05.070
None Unchecked Ratio IC50 3431.0 None 10.1016/j.bmc.2010.06.007
None Unchecked Ratio IC50 3431.0 None 10.1016/j.bmc.2014.03.042
None Unchecked Ratio IC50 3431.0 None 10.1016/j.bmcl.2009.04.085
None Unchecked Ratio IC50 3431.0 None 10.1016/j.bmcl.2009.07.039
None Unchecked Ratio IC50 3431.0 None 10.1016/j.bmcl.2010.07.013
None Unchecked Ratio IC50 3431.0 None 10.1016/j.bmcl.2014.12.001
None Unchecked Ratio IC50 3431.0 None 10.1016/j.ejmech.2009.11.003
None Unchecked Ratio IC50 3431.0 None 10.1016/j.ejmech.2011.07.017
None Unchecked Ratio IC50 3431.0 None 10.1016/j.ejmech.2012.10.032
None Unchecked Ratio IC50 3431.0 None 10.1016/j.ejmech.2012.11.006
None Unchecked Ratio IC50 3431.0 None 10.1016/j.ejmech.2013.02.009
None Unchecked Ratio IC50 3431.0 None 10.1016/j.ejmech.2016.03.081
None Unchecked Ratio IC50 3431.0 None 10.1021/acs.jnatprod.6b00391
None Unchecked Ratio IC50 3431.0 None 10.1021/jm1013709
None Unchecked Ratio IC50 3431.0 None 10.1021/jm200716y
None Unchecked Ratio IC50 3431.0 None 10.1021/jm800132g
None Unchecked Ratio IC50 3431.0 None 10.1021/jm800656v
None Unchecked Ratio IC50 3494.0 None 10.1021/jm501501a
None Unchecked Ratio IC50 4041.0 None 10.1016/j.ejmech.2018.07.056
None Unchecked Ratio IC50 4043.0 None 10.1016/j.bmcl.2010.03.081
None Unchecked Ratio IC50 4043.0 None 10.1016/j.bmcl.2010.11.128
None Unchecked Ratio IC50 4043.0 None 10.1016/j.ejmech.2017.07.045
None Unchecked Ratio IC50 4043.0 None 10.1021/jm2004267
None Unchecked Ratio IC50 4108.0 None 10.1021/acs.jmedchem.7b00918
None Unchecked Ratio IC50 4544.0 None 10.1016/j.ejmech.2011.01.033
None Unchecked Ratio IC50 4544.0 None 10.1039/C1MD00221J
None Unchecked Ratio IC50 5179.0 None 10.1021/acs.jmedchem.9b01886
None Unchecked Ratio IC50 37945.0 None 10.1016/j.bmc.2015.04.009
None Unchecked Ratio IC50 37945.0 None 10.1021/jm300978h
None Unchecked Ratio Ki 0.07 None 10.1039/C8MD00196K
None Unchecked Ratio Ki 0.25 None 10.1016/j.bmc.2008.09.072
None Unchecked Ratio Ki 0.25 None 10.1021/jm060882y
None Unchecked Ratio Ki 0.25 None 10.1021/jm301014y
None Unchecked Ratio Ki 14.54 None 10.1021/acs.jmedchem.0c01504
None Unchecked Ratio Ki 44.45 None 10.1021/acsmedchemlett.5b00326
None Unchecked Ratio Ki 78.26 None 10.1016/j.bmc.2009.07.033
None Unchecked Ratio Ki 99.92 None 10.1016/j.bmcl.2011.05.057
None Unchecked Ratio Ki 99.92 None 10.1016/j.ejmech.2013.09.010
None Unchecked Ratio Ki 250.0 None 10.1016/j.bmc.2011.10.049
None Unchecked Ratio pIC50 100.0 None 10.1021/jm201692d
None Unchecked Residual activity 0.24 nM 10.1021/jm960477e
None Unchecked Residual activity 0.44 nM 10.1021/jm960477e
None Unchecked Selectivity 100.0 None 10.1021/jm00061a006
None Unchecked Selectivity index -1.58 None 10.1021/jm060868l
None Unchecked Selectivity Index 3431.12 None 10.1016/j.ejmech.2010.07.009
None Unchecked Selectivity ratio 280.0 None 10.1016/j.bmc.2014.12.063

Metabolism Information