| Homo sapiens |
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase |
Activity |
2.98 |
% |
10.1021/acs.jmedchem.0c01762 |
| Homo sapiens |
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase |
Activity |
97.0 |
% |
10.1021/acs.jmedchem.0c01762 |
| Homo sapiens |
Acetylcholinesterase |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Adenosine A1 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Adenosine A2a receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Adenosine A3 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Alpha-1a adrenergic receptor |
AC50 |
3671.6 |
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-2a adrenergic receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Alpha-2b adrenergic receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Alpha-2c adrenergic receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Beta-1 adrenergic receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Beta-2 adrenergic receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Beta-3 adrenergic receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Bile salt export pump |
AC50 |
300000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Bile salt export pump |
IC50 |
133000.0 |
nM |
10.1093/toxsci/kft176 |
| 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 |
Canalicular multispecific organic anion transporter 1 |
IC50 |
133000.0 |
nM |
10.1093/toxsci/kft176 |
| Homo sapiens |
Canalicular multispecific organic anion transporter 2 |
IC50 |
133000.0 |
nM |
10.1093/toxsci/kft176 |
| Homo sapiens |
Cannabinoid CB1 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Cholecystokinin A receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Cholecystokinin B receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Corticotropin releasing factor receptor 1 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Corticotropin releasing factor receptor 2 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Cyclooxygenase-2 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Cytochrome P450 3A4 |
Inhibition |
43.0 |
% |
10.1021/acsmedchemlett.1c00416 |
| Homo sapiens |
Delta opioid receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Dopamine D1 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Dopamine D2 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Dopamine D3 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Dopamine transporter |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Endothelin receptor ET-A |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Endothelin receptor ET-B |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Epidermal growth factor receptor erbB1 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
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 beta |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Gastric inhibitory polypeptide receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Ghrelin receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Glucagon receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Glucocorticoid receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
HERG |
AC50 |
30000.0 |
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 H2 receptor |
AC50 |
10000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Histamine H3 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Histone deacetylase 6 |
Inhibition |
1.67 |
% |
10.6019/CHEMBL4808148 |
| Homo sapiens |
Histone deacetylase 6 |
Inhibition |
14.57 |
% |
10.6019/CHEMBL4808148 |
| 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 |
Kappa opioid receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Melanocortin receptor 3 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Melanocortin receptor 4 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Monoamine oxidase A |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Motilin receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Multidrug resistance-associated protein 4 |
IC50 |
133000.0 |
nM |
10.1093/toxsci/kft176 |
| Homo sapiens |
Mu opioid receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Muscarinic acetylcholine receptor M1 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Muscarinic acetylcholine receptor M2 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Muscarinic acetylcholine receptor M3 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| 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 2 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| 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 |
10000.0 |
nM |
10.1021/acs.jmedchem.0c01867 |
| Homo sapiens |
Norepinephrine transporter |
Ki |
10000.0 |
nM |
10.1021/acs.jmedchem.0c01867 |
| 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 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Pregnane X receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Progesterone receptor |
AC50 |
20219.9 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Progesterone receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Receptor protein-tyrosine kinase erbB-2 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 1a (5-HT1a) receptor |
AC50 |
10000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 1a (5-HT1a) receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 2a (5-HT2a) receptor |
AC50 |
10000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 2a (5-HT2a) receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 2b (5-HT2b) receptor |
AC50 |
28000.1 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 2b (5-HT2b) receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 2c (5-HT2c) receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin 3a (5-HT3a) receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Serotonin transporter |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Solute carrier organic anion transporter family member 1B1 |
Inhibition |
120.58 |
% |
10.1124/mol.112.084152 |
| Homo sapiens |
Solute carrier organic anion transporter family member 1B3 |
Inhibition |
101.4 |
% |
10.1124/mol.112.084152 |
| Homo sapiens |
Thromboxane A2 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Type-1 angiotensin II receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Vascular endothelial growth factor receptor 2 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Vasopressin V1a receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Vasopressin V2 receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Homo sapiens |
Voltage-gated calcium channel alpha2/delta subunit 1 |
INH |
0.039 |
uM |
10.1016/j.bmcl.2018.05.006 |
| Homo sapiens |
Voltage-gated calcium channel alpha2/delta subunit 1 |
Ki |
19.0 |
nM |
10.1021/acs.jmedchem.0c01867 |
| Homo sapiens |
Voltage-gated calcium channel alpha2/delta subunit 1 |
Ki |
19.0 |
nM |
10.1021/acsmedchemlett.1c00416 |
| Homo sapiens |
Voltage-gated calcium channel alpha2/delta subunit 1 |
T1/2 |
1.5 |
hr |
10.1021/acs.jmedchem.1c00208 |
| Homo sapiens |
Voltage-gated calcium channel alpha2/delta subunit 2 |
Ki |
99.0 |
nM |
10.1021/acs.jmedchem.0c01867 |
| Homo sapiens |
Voltage-gated calcium channel alpha2/delta subunit 2 |
T1/2 |
1.5 |
hr |
10.1021/acs.jmedchem.1c00208 |
| Mus musculus |
Mus musculus |
Activity |
34.0 |
% |
10.1021/acsmedchemlett.1c00416 |
| Mus musculus |
Mus musculus |
Activity |
98.0 |
% |
10.1016/j.bmcl.2018.05.006 |
| Mus musculus |
Mus musculus |
Activity |
100.0 |
% |
10.1016/j.bmcl.2005.06.090 |
| Mus musculus |
Mus musculus |
Activity |
100.0 |
% |
10.1016/j.bmcl.2006.03.083 |
| Mus musculus |
Mus musculus |
Activity |
100.0 |
% |
10.1016/j.bmcl.2008.10.101 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1016/j.bmcl.2012.10.001 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1016/j.bmcl.2018.05.006 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1016/j.ejmech.2019.05.026 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1016/j.ejmech.2022.114413 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1021/acs.jmedchem.6b01496 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1021/acs.jmedchem.9b02163 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1021/acs.jnatprod.0c00793 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1021/jm3007323 |
| Mus musculus |
Mus musculus |
Activity |
nan |
None |
10.1021/np300783a |
| Mus musculus |
Mus musculus |
AUC |
18940000.0 |
ng.hr.mL-1 |
10.1016/j.bmcl.2018.05.006 |
| Mus musculus |
Mus musculus |
CL |
7.77 |
mL.min-1.kg-1 |
10.1016/j.bmcl.2018.05.006 |
| Mus musculus |
Mus musculus |
Cmax |
8415.5 |
nM |
10.1016/j.bmcl.2018.05.006 |
| Mus musculus |
Mus musculus |
ED50 |
20.0 |
mg.kg-1 |
10.1016/S0960-894X(01)80855-6 |
| Mus musculus |
Mus musculus |
Efficacy |
57.0 |
% |
10.1016/j.bmc.2013.08.031 |
| Mus musculus |
Mus musculus |
Efficacy |
69.0 |
% |
10.1016/j.bmc.2013.08.031 |
| Mus musculus |
Mus musculus |
Efficacy |
73.0 |
% |
10.1016/j.bmc.2013.08.031 |
| Mus musculus |
Mus musculus |
F |
88.0 |
% |
10.1016/j.bmcl.2018.05.006 |
| Mus musculus |
Mus musculus |
Inhibition |
nan |
% |
10.1021/jm3007323 |
| Mus musculus |
Mus musculus |
Protection |
100.0 |
% |
10.1021/jm049762l |
| Mus musculus |
Mus musculus |
T1/2 |
2.54 |
hr |
10.1016/j.bmcl.2018.05.006 |
| Rattus norvegicus |
Androgen Receptor |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Rattus norvegicus |
Brain |
Drug uptake |
7360.0 |
ng/ml |
10.1016/j.bmcl.2008.10.101 |
| Rattus norvegicus |
Cyclooxygenase-1 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Rattus norvegicus |
GABA receptor alpha-1 subunit |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Rattus norvegicus |
Glutamate (NMDA) receptor subunit zeta 1 |
AC50 |
30000.0 |
nM |
10.1038/s41467-023-40064-9 |
| Rattus norvegicus |
P2X purinoceptor 7 |
Inhibition |
31.0 |
% |
10.1021/jm500324g |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
5.8 |
g |
10.1021/acsmedchemlett.5b00059 |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
58.0 |
% |
10.1021/jm301056k |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
100.0 |
% |
10.1016/j.bmcl.2005.06.090 |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
nan |
None |
10.1016/j.bmcl.2010.05.026 |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
nan |
None |
10.1016/j.bmcl.2012.10.001 |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
nan |
None |
10.1016/j.bmcl.2019.04.015 |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
nan |
None |
10.1016/j.ejmech.2018.09.021 |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
nan |
None |
10.1039/C7MD00131B |
| Rattus norvegicus |
Rattus norvegicus |
Activity |
nan |
None |
None |
| Rattus norvegicus |
Rattus norvegicus |
AUC |
5.8 |
g.hr |
10.1016/j.bmcl.2018.05.006 |
| Rattus norvegicus |
Rattus norvegicus |
AUC |
18.0 |
g.hr |
10.1016/j.bmcl.2018.05.006 |
| Rattus norvegicus |
Rattus norvegicus |
AUC |
14800.0 |
ng.hr.mL-1 |
10.1016/j.bmcl.2008.10.101 |
| Rattus norvegicus |
Rattus norvegicus |
B/P |
0.22 |
None |
10.1021/jm0491086 |
| Rattus norvegicus |
Rattus norvegicus |
Brain level |
4330.0 |
ng ml-1 |
10.1021/jm0491086 |
| Rattus norvegicus |
Rattus norvegicus |
CITH |
52.0 |
None |
10.1021/jm049762l |
| Rattus norvegicus |
Rattus norvegicus |
CL |
2.9 |
mL.min-1.kg-1 |
10.1016/j.bmcl.2008.10.101 |
| Rattus norvegicus |
Rattus norvegicus |
Cp |
25643.0 |
ng/ml |
10.1016/j.bmcl.2008.10.101 |
| Rattus norvegicus |
Rattus norvegicus |
ED50 |
42.2 |
mg.kg-1 |
10.1016/j.bmcl.2014.05.074 |
| Rattus norvegicus |
Rattus norvegicus |
Efficacy |
20.0 |
% |
10.1016/j.bmcl.2020.127636 |
| Rattus norvegicus |
Rattus norvegicus |
F |
83.0 |
% |
10.1016/j.bmcl.2008.10.101 |
| Rattus norvegicus |
Rattus norvegicus |
Inhibition |
nan |
% |
10.1016/j.bmcl.2014.05.016 |
| Rattus norvegicus |
Rattus norvegicus |
Inhibition |
nan |
% |
10.1021/jm5006429 |
| Rattus norvegicus |
Rattus norvegicus |
MED |
10.0 |
mg kg-1 |
10.1016/j.bmcl.2009.10.089 |
| Rattus norvegicus |
Rattus norvegicus |
Plasma level |
19367.0 |
ng ml-1 |
10.1021/jm0491086 |
| Rattus norvegicus |
Rattus norvegicus |
PWT |
3.43 |
g |
10.1016/j.bmcl.2004.02.094 |
| Rattus norvegicus |
Rattus norvegicus |
PWT |
18.86 |
g |
10.1016/j.bmcl.2004.02.094 |
| Rattus norvegicus |
Rattus norvegicus |
T1/2 |
2.7 |
hr |
10.1016/j.bmcl.2008.10.101 |
| Rattus norvegicus |
Rattus norvegicus |
TIME |
0.00425 |
hr |
10.1021/jm101376k |
| Rattus norvegicus |
Rattus norvegicus |
TIME |
0.004361 |
hr |
10.1021/jm101376k |
| Rattus norvegicus |
Rattus norvegicus |
TIME |
0.004472 |
hr |
10.1021/jm101376k |
| Rattus norvegicus |
Rattus norvegicus |
TIME |
0.004639 |
hr |
10.1021/jm101376k |
| Rattus norvegicus |
Rattus norvegicus |
TIME |
0.004722 |
hr |
10.1021/jm101376k |
| Rattus norvegicus |
Rattus norvegicus |
TIME |
0.00475 |
hr |
10.1021/jm101376k |
| Rattus norvegicus |
Rattus norvegicus |
TIME |
2.0 |
hr |
10.1016/j.bmcl.2014.05.016 |
| Rattus norvegicus |
Rattus norvegicus |
Vdss |
0.79 |
L.kg-1 |
10.1016/j.bmcl.2008.10.101 |
| Rattus norvegicus |
Rattus norvegicus |
WLC PRA |
100.0 |
None |
10.1021/jm049762l |
| Rattus norvegicus |
Voltage-gated L-type calcium channel alpha-1C subunit |
AC50 |
30000.0 |
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 |
| Severe acute respiratory syndrome coronavirus 2 |
Replicase polyprotein 1ab |
Inhibition |
12.13 |
% |
10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 |
SARS-CoV-2 |
Inhibition |
0.04 |
% |
10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 |
SARS-CoV-2 |
Inhibition |
5.38 |
% |
10.21203/rs.3.rs-23951/v1 |
| Severe acute respiratory syndrome coronavirus 2 |
SARS-CoV-2 |
Inhibition index |
0.7622 |
None |
10.1101/2020.04.03.023846 |
| Sus scrofa |
Voltage-dependent calcium channel alpha2delta subunit |
IC50 |
73.0 |
nM |
10.1016/j.bmcl.2005.06.090 |
| Sus scrofa |
Voltage-dependent calcium channel alpha2delta subunit |
IC50 |
80.0 |
nM |
10.1016/j.bmcl.2009.10.089 |
| None |
ADMET |
Activity |
nan |
None |
10.1021/acs.jmedchem.6b00571 |
| None |
ADMET |
PPB |
50.0 |
% |
10.6019/CHEMBL3301361 |
| None |
ADMET |
Ratio |
0.29 |
None |
10.1016/j.bmcl.2008.10.101 |
| 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 |
8.0 |
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 |
1.0 |
None |
10.1371/journal.pcbi.1002310 |
| None |
Hepatotoxicity |
HepSE_jaundice |
1.0 |
None |
10.1371/journal.pcbi.1002310 |
| None |
Hepatotoxicity |
HepSE_liver disease |
0.0 |
None |
10.1371/journal.pcbi.1002310 |
| None |
Hepatotoxicity |
HepSE_liver fatty |
1.0 |
None |
10.1371/journal.pcbi.1002310 |
| None |
Hepatotoxicity |
HepSE_liver function tests abnormal |
1.0 |
None |
10.1371/journal.pcbi.1002310 |
| None |
NON-PROTEIN TARGET |
Inhibition |
31.0 |
% |
10.1016/j.ejmech.2013.10.026 |
| None |
Unchecked |
Ac50 |
0.631 |
uM |
None |
| None |
Unchecked |
Ac50 |
0.8913 |
uM |
None |
| None |
Unchecked |
Ac50 |
7.943 |
uM |
None |
| None |
Unchecked |
AC50 |
631.0 |
nM |
None |
| None |
Unchecked |
AC50 |
891.3 |
nM |
None |
| None |
Unchecked |
AC50 |
7950.0 |
nM |
None |
| None |
Unchecked |
Activity |
14.1 |
% |
10.1016/j.bmc.2016.11.052 |
| None |
Unchecked |
Activity |
15.0 |
% |
10.1016/j.bmc.2016.11.052 |
| None |
Unchecked |
Activity |
24.34 |
% |
10.1016/j.bmc.2016.11.052 |
| None |
Unchecked |
Activity |
26.2 |
% |
10.1016/j.bmc.2016.11.052 |
| None |
Unchecked |
Activity |
182.1 |
pmol/min.mg |
10.1016/j.bmc.2015.06.038 |
| None |
Unchecked |
Activity |
210.7 |
pmol/min.mg |
10.1016/j.bmc.2015.06.038 |
| None |
Unchecked |
Activity |
nan |
None |
10.1016/j.bmc.2015.06.038 |
| None |
Unchecked |
Activity |
nan |
None |
10.1016/j.bmc.2016.11.052 |
| None |
Unchecked |
Activity |
nan |
None |
10.1021/acsmedchemlett.1c00416 |
| None |
Unchecked |
IC50 |
37.0 |
nM |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
IC50 |
80.0 |
nM |
10.1016/j.bmcl.2008.10.101 |
| None |
Unchecked |
IC50 |
80.0 |
nM |
10.1016/j.bmcl.2009.10.121 |
| None |
Unchecked |
IC50 |
80.0 |
nM |
10.1016/j.bmcl.2011.04.045 |
| None |
Unchecked |
IC50 |
80.0 |
nM |
10.1016/j.bmcl.2011.04.056 |
| None |
Unchecked |
IC50 |
80.0 |
nM |
10.1016/j.bmcl.2011.04.058 |
| None |
Unchecked |
IC50 |
80.0 |
nM |
10.1021/jm049762l |
| None |
Unchecked |
IC50 |
158000.0 |
nM |
10.1016/j.bmcl.2008.10.101 |
| None |
Unchecked |
IC50 |
158000.0 |
nM |
10.1021/jm0491086 |
| None |
Unchecked |
IC50 |
158000.0 |
nM |
10.1021/jm049762l |
| None |
Unchecked |
IC50 |
284000.0 |
nM |
10.1016/j.bmcl.2005.06.090 |
| None |
Unchecked |
Inhibition |
25.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Inhibition |
50.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Inhibition |
75.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Inhibition |
85.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Inhibition |
90.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Inhibition |
92.0 |
% |
10.1016/j.ejmech.2009.12.049 |
| None |
Unchecked |
Inhibition |
94.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Inhibition |
98.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Inhibition |
100.0 |
% |
10.1016/S0960-894X(01)80855-6 |
| None |
Unchecked |
Ki |
19.0 |
nM |
10.1016/j.bmcl.2006.03.083 |
| None |
Unchecked |
Ki |
19.0 |
nM |
10.1021/jm0491086 |