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Noscapine

AlkaPlorer ID: AK001317

Synonym: None

IUPAC Name: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

Structure

SMILES: COC1=CC=C2C(=C1OC)C(=O)O[C@@H]2[C@H]1C2=C(OC)C3=C(C=C2CCN1C)OCO3

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InChI: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1

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InChIKey: AKNNEGZIBPJZJG-MSOLQXFVSA-N

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Properties Information

Molecule Weight: 413.4260000000003

TPSA？: 75.69000000000001

MolLogP？: 2.881800000000001

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition -5.12 % 10.6019/CHEMBL4296183
Bacillus anthracis Anthrax lethal factor Potency 12589.3 nM None
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Bos taurus Tubulin IC50 170000.0 nM 10.1016/j.ejmech.2014.07.050
Bos taurus Tubulin IC50 400000.0 nM 10.1016/j.ejmech.2014.07.050
Bos taurus Tubulin Inhibition 44.0 % 10.1016/j.ejmech.2014.07.050
Candida albicans Candida albicans Inhibition -0.41 % 10.6019/CHEMBL4296183
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Cryptococcus neoformans Cryptococcus neoformans Inhibition -6.69 % 10.6019/CHEMBL4296183
Escherichia coli Escherichia coli Inhibition 1.19 % 10.6019/CHEMBL4296183
Escherichia coli K-12 Beta-lactamase AmpC Potency 39810.7 nM None
Homo sapiens 786-0 GI50 49888.45 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 EC50 25000.0 nM 10.1021/jm050674q
Homo sapiens A549 EC50 nan None 10.1021/jm050674q
Homo sapiens A549 GI50 72945.75 nM None
Homo sapiens A549 IC50 62900.0 nM 10.1016/j.bmcl.2014.10.046
Homo sapiens A549 IC50 72900.0 nM 10.1021/jm501180v
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN GI50 62517.27 nM 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 Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Ataxin-2 Potency 3548.1 nM None
Homo sapiens Bel-7402 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens Beta-1 adrenergic receptor AC50 8699.4 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 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 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 BT-549 GI50 45708.82 nM None
Homo sapiens CAKI-1 GI50 62950.62 nM None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 78.0 % 10.1021/jm7015683
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 CCRF-CEM GI50 12912.19 nM None
Homo sapiens CCRF-CEM IC50 14500.0 nM 10.1021/jm501180v
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 89125.1 nM None
Homo sapiens COLO 205 GI50 63533.09 nM None
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 8400.0 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 31622.78 nM 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 158.49 nM None
Homo sapiens Cytochrome P450 2C19 IC50 400.3 nM None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C19 Potency 158.5 nM None
Homo sapiens Cytochrome P450 2C9 AC50 125.89 nM None
Homo sapiens Cytochrome P450 2C9 IC50 8177.3 nM None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2C9 Potency 125.9 nM 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 2511.89 nM None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 1995.3 nM None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA dC->dU-editing enzyme APOBEC-3G Potency 22387.2 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine 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 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 DU-145 GI50 100000.0 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 23109.3 nM None
Homo sapiens Geminin Potency 29092.9 nM None
Homo sapiens Ghrelin receptor AC50 326.0 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 HCC 2998 GI50 79432.82 nM None
Homo sapiens HCT-116 GI50 50466.13 nM None
Homo sapiens HCT-15 GI50 43351.09 nM None
Homo sapiens HEK293 Effect 6.0 % 10.1021/jm0494220
Homo sapiens HEK293 Effect 18.0 % 10.1021/jm0494220
Homo sapiens HEK293 Effect 76.0 % 10.1021/jm0494220
Homo sapiens HeLa Activity 6.4 % 10.1021/jm501180v
Homo sapiens HeLa Activity 11.1 % 10.1021/jm501180v
Homo sapiens HeLa Activity 15.2 % 10.1021/jm501180v
Homo sapiens HeLa Activity 42.9 % 10.1021/jm501180v
Homo sapiens HeLa Activity 50.0 % 10.1021/jm501180v
Homo sapiens HeLa EC50 18400.0 nM 10.1021/jm501180v
Homo sapiens HeLa GI 42.4 % 10.1021/jm501180v
Homo sapiens HeLa IC50 24000.0 nM 10.1016/j.bmcl.2014.10.046
Homo sapiens HeLa IC50 24000.0 nM 10.1021/jm501180v
Homo sapiens HeLa IC50 25000.0 nM 10.1021/acs.jmedchem.8b00986
Homo sapiens HeLa Inhibition 50.0 % 10.1016/j.ejmech.2008.06.025
Homo sapiens HepG2 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens HepG2 IC50 nan None 10.1016/j.ejmech.2015.02.031
Homo sapiens HERG AC50 15190.1 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 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 23778.1 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens F 30.0 % 10.1021/acs.jmedchem.8b00986
Homo sapiens Homo sapiens T1/2 4.5 hr 10.1021/acs.jmedchem.8b00986
Homo sapiens HOP-62 GI50 71449.63 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 21134.89 nM None
Homo sapiens HT-29 GI50 39994.47 nM None
Homo sapiens Huh-7 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens IGROV-1 GI50 62661.39 nM None
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens K562 GI50 32960.97 nM 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 KM12 GI50 45814.19 nM 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 LOX IMVI GI50 37153.52 nM None
Homo sapiens M14 GI50 39174.19 nM None
Homo sapiens Malme-3M GI50 33496.54 nM None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase ERK2 Potency 31622.8 nM None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF7 Activity 2.0 % 10.1021/acs.jmedchem.8b00986
Homo sapiens MCF7 Activity 20.0 % 10.1016/j.bmcl.2020.127489
Homo sapiens MCF7 Activity nan None 10.1021/acs.jmedchem.8b00986
Homo sapiens MCF7 GI50 42266.86 nM None
Homo sapiens MCF7 IC50 18800.0 nM 10.1021/acs.jmedchem.8b00986
Homo sapiens MCF7 IC50 42000.0 nM 10.1021/acs.jmedchem.8b00986
Homo sapiens MCF7 IC50 42300.0 nM 10.1016/j.bmcl.2014.10.046
Homo sapiens MCF7 IC50 42300.0 nM 10.1021/jm501180v
Homo sapiens MCF7 IC50 57000.0 nM 10.1016/j.bmcl.2014.08.053
Homo sapiens MCF7 IC50 nan None 10.1016/j.ejmech.2015.02.031
Homo sapiens MDA-MB-231 GI50 76559.66 nM None
Homo sapiens MDA-MB-231 IC50 64000.0 nM 10.1016/j.bmcl.2014.08.053
Homo sapiens MDA-MB-435 GI50 4864.07 nM None
Homo sapiens MDA-N GI50 23067.47 nM 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 Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens MOLT-4 GI50 23496.33 nM None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 19386.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 34500.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 Inhibition 13.4 % 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 2 Inhibition nan % 10.1021/jm301302s
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens NCI/ADR-RES GI50 43752.21 nM None
Homo sapiens NCI/ADR-RES IC50 17400.0 nM 10.1021/acs.jmedchem.8b00986
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 79067.86 nM None
Homo sapiens NCI-H460 GI50 39902.49 nM None
Homo sapiens NCI-H522 GI50 30338.91 nM 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 10322.5 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 16360.1 nM None
Homo sapiens OVCAR-3 GI50 16519.62 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 63533.09 nM None
Homo sapiens PANC-1 Activity 10.8 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PANC-1 Activity 16.0 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PANC-1 Activity 16.1 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PANC-1 Activity 69.3 % 10.1021/acs.jmedchem.8b00986
Homo sapiens PC-3 GI50 50118.72 nM 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 4D AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Ras-related protein Rab-9A Potency 115820.8 nM None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens RPMI-8226 GI50 23334.58 nM None
Homo sapiens RXF 393 GI50 100000.0 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 11403.0 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 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 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 SF-268 GI50 71779.43 nM None
Homo sapiens SF-295 GI50 30269.13 nM None
Homo sapiens SF-539 GI50 30760.97 nM None
Homo sapiens SH-SY5Y Potency 3548.1 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-MEL-2 GI50 34119.29 nM None
Homo sapiens SK-MEL-28 GI50 42072.66 nM None
Homo sapiens SK-MEL-5 GI50 48305.88 nM None
Homo sapiens SK-OV-3 GI50 73113.91 nM None
Homo sapiens SMMC-7721 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 80537.84 nM None
Homo sapiens SNB-75 GI50 4864.07 nM None
Homo sapiens SNU-387 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens SNU-398 Activity 1.0 % 10.1021/jm200848t
Homo sapiens SNU-398 Activity 30.3 % 10.1021/jm200848t
Homo sapiens SNU-398 Activity 66.0 % 10.1021/jm200848t
Homo sapiens SNU-398 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens SNU-398 IC50 2000.0 nM 10.1021/jm200848t
Homo sapiens SNU-423 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens SNU-449 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens SNU-475 IC50 1000.0 nM 10.1021/jm200848t
Homo sapiens Solute carrier family 22 member 2 IC50 2600.0 nM 10.1021/jm301302s
Homo sapiens Sphingomyelin phosphodiesterase Activity 114.8 % 10.1021/jm070524a
Homo sapiens SR GI50 38815.04 nM None
Homo sapiens SW-620 GI50 27039.58 nM None
Homo sapiens T47D GI50 100000.0 nM None
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 Tubulin Activity 12.7 % 10.1021/jm501180v
Homo sapiens Tubulin Activity 21.6 % 10.1021/jm501180v
Homo sapiens Tubulin Activity 24.3 % 10.1021/jm501180v
Homo sapiens Tubulin Activity 58.3 % 10.1021/jm501180v
Homo sapiens Tubulin Activity 59.2 % 10.1021/jm501180v
Homo sapiens Tubulin EC50 50000.0 nM 10.1021/jm050674q
Homo sapiens Tubulin Kd 1860.0 nM 10.1021/jm501180v
Homo sapiens Tubulin Kd 144000.0 nM 10.1021/jm501180v
Homo sapiens Tubulin beta Kd 579.0 nM 10.1016/j.bmcl.2020.127489
Homo sapiens Type-1 angiotensin II receptor AC50 627.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29855.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 33498.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 37585.7 nM None
Homo sapiens U-251 Activity 21.54 % 10.1021/jm501180v
Homo sapiens U-251 Activity 23.13 % 10.1021/jm501180v
Homo sapiens U-251 Activity 23.33 % 10.1021/jm501180v
Homo sapiens U-251 Activity 25.33 % 10.1021/jm501180v
Homo sapiens U-251 Activity 28.92 % 10.1021/jm501180v
Homo sapiens U-251 Activity 47.75 % 10.1021/jm501180v
Homo sapiens U-251 GI50 41020.41 nM None
Homo sapiens U-251 IC50 40000.0 nM 10.1021/jm501180v
Homo sapiens UACC-257 GI50 55080.77 nM None
Homo sapiens UACC-62 GI50 56885.29 nM None
Homo sapiens UO-31 GI50 69023.98 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Whole blood Retention_time 4.99 min 10.1007/s00044-012-9977-1
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition -0.26 % 10.6019/CHEMBL4296183
Mus musculus Mus musculus AUC 345.0 ng.hr.mL-1 10.1021/jm050674q
Mus musculus Mus musculus AUC 524.0 ng.hr.mL-1 10.1021/jm050674q
Mus musculus Mus musculus CL 96.8 mL.min-1.kg-1 10.1021/jm050674q
Mus musculus Mus musculus F 14.1 % 10.1021/jm050674q
Mus musculus Mus musculus T1/2 0.8333 hr 10.1021/jm050674q
Mus musculus Mus musculus Vdss 15.53 L.kg-1 10.1021/jm050674q
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
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 14715.7 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 4.16 % 10.6019/CHEMBL4296183
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 C6 GI 60.0 % 10.1021/jm501180v
Rattus norvegicus Cyclooxygenase-1 AC50 17899.9 nM 10.1038/s41467-023-40064-9
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 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 Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Rattus norvegicus ALB 37000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 37200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 37300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 38000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 38300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 318.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 336.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 356.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 381.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 388.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 391.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 27.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 36.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 38.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 42.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 43.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 43.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 56.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 57.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 63.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 65.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 66.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 68.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.35 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.68 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 1.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 1.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 3.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 4.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 5.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 5.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 133.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 135.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 141.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 161.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 175.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 95.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 96.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 96.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 106.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 106.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 107.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 610.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 706.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 710.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 720.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 1000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 1310.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 142.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 148.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 152.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 156.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 165.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 176.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 4.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 4.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.35 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.37 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.46 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.53 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1660.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1771.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1786.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1836.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1880.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1936.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 42.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 43.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 44.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 45.44 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 45.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 48.95 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 152000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 75.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 81.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 82.1 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 82.57 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 82.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 84.44 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 19.27 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 19.7 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 19.72 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 19.82 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.13 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 310000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 310200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 310500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 315000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 319700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.33 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.57 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.4 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.66 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.88 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.9 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.14 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 3.35 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.16 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.97 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.57 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 14.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 19.87 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 114.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 120.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 124.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 127.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 128.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 148.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1267000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1378200.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1413670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1473000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1512670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1766330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 7.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 7.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 67200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 67500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 67700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 68000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 72500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6860000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6940000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7100000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7120000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7150000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7710000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 140.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 140.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 149.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 151.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 152.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9280.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9570.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9780.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10040.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10320.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11380.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor 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 Thioredoxin reductase 1, cytoplasmic Potency 398.1 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 23109.3 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 29.95 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.22 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus Inhibition 1.91 % 10.6019/CHEMBL4296183
Staphylococcus aureus Staphylococcus aureus MIC 207000000.0 nM 10.1016/j.bmcl.2021.128055
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Molecular identity unknown Activity 1.5 % 10.1021/jm200848t
None Molecular identity unknown Activity 19.0 % 10.1021/jm050674q
None Molecular identity unknown Activity 27.1 % 10.1021/jm200848t
None Molecular identity unknown Activity 31.0 % 10.1021/jm050674q
None Molecular identity unknown Activity 50.0 % 10.1021/jm050674q
None Molecular identity unknown Activity 65.5 % 10.1021/jm200848t
None NON-PROTEIN TARGET Activity 49.0 % 10.1021/jm501180v
None NON-PROTEIN TARGET Activity 65.0 % 10.1021/jm501180v
None NON-PROTEIN TARGET Activity 86.0 % 10.1021/jm501180v
None NON-PROTEIN TARGET IC50 1000.0 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 2000.0 nM 10.1021/jm200848t
None NON-PROTEIN TARGET IC50 20000.0 nM 10.1021/jm501180v
None NON-PROTEIN TARGET IC50 34700.0 nM 10.1021/jm501180v
None NON-PROTEIN TARGET IC50 70000.0 nM 10.1021/jm501180v
None NON-PROTEIN TARGET IC50 80300.0 nM 10.1016/j.ejmech.2015.02.031
None No relevant target pKa 6.2 None 10.1021/jm070524a
None Unchecked Ac50 1.0 uM None
None Unchecked Ac50 2.818 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 1000.0 nM None
None Unchecked AC50 2818.4 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity 26.7 RFU/min 10.1021/acs.jmedchem.8b00986
None Unchecked Activity nan None 10.1021/jm200848t
None Unchecked EC50 69700.0 nM 10.1021/acs.jmedchem.8b00986
None Unchecked FC 17.6 None 10.1021/acs.jmedchem.8b00986
None Unchecked IC50 39000.0 nM 10.1021/acs.jmedchem.8b00986
None Unchecked IC50 65200.0 nM 10.1016/j.bmcl.2011.11.025
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1021/jm200848t
None Unchecked Ki nan None None
None Unchecked Potency 4466.8 nM None
None Unchecked Potency 8912.5 nM None
None Unchecked Potency 11577.4 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio 4.0 None 10.1021/acs.jmedchem.8b00986
None Unchecked Vmax 20.0 milli optical density/minute 10.1021/acs.jmedchem.8b00986

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011884 COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2O)OCO3)CCN1C.C[SAH]>>COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C R12262
AKRT011885 COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C>>COc1ccc2c(c1OC)C(O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C enzymemap_4961
AKRT011887 COc1ccc2c(c1OC)C(O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C>>COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C RXN-13812