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name Structure Reference Source Properties Activities Metabolism

tipranavir

AlkaPlorer ID: AK220833

Synonym: None

IUPAC Name: N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

Structure

SMILES: CCC[C@@]1(CCC2=CC=CC=C2)CC(O)=C([C@H](CC)C2=CC=CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)C=N3)=C2)C(=O)O1

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InChI: InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1

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InChIKey: SUJUHGSWHZTSEU-FYBSXPHGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 602.6750000000001

TPSA？: 105.59000000000002

MolLogP？: 7.325500000000007

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
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 6400.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 4700.0 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-2a adrenergic receptor AC50 8600.0 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 25000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin-converting enzyme Inhibition 31.0 % 10.1021/jm400813y
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 Bile salt export pump AC50 3200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 88.0 % 10.1021/jm7015683
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cathepsin D Ki 15000.0 nM 10.1021/jm960541s
Homo sapiens Cathepsin E Ki 9000.0 nM 10.1021/jm960541s
Homo sapiens Cholecystokinin A receptor AC50 26999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 3800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 2C9 FC 1.6 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 Activity nan None None
Homo sapiens Cytochrome P450 3A4 FC 1.3 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Delta opioid receptor AC50 16000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 14000.1 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 26999.8 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 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 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 21999.9 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 Ghrelin 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 HEK293 Activity nan None 10.1073/pnas.0704212104
Homo sapiens Histamine H1 receptor AC50 30000.0 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 -20.52 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -1.6 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens Activity -38.0 % 10.1128/aac.00671-07
Homo sapiens Homo sapiens Activity -23.0 % 10.1128/aac.00671-07
Homo sapiens Homo sapiens Activity nan None 10.1128/aac.00671-07
Homo sapiens Homo sapiens Activity nan None 10.1128/aac.01115-06
Homo sapiens Homo sapiens AUC 395960.76 ng.hr.mL-1 10.1128/aac.01115-06
Homo sapiens Homo sapiens CL 1.47 L/hr 10.1128/aac.01115-06
Homo sapiens Homo sapiens Cmax 99390.0 nM 10.1128/aac.01115-06
Homo sapiens Homo sapiens Cp 25.85 uM 10.1128/aac.01115-06
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 8.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens EC50 60000.0 nM 10.1128/aac.01512-09
Homo sapiens Homo sapiens EC50 85000.0 nM 10.1128/aac.01512-09
Homo sapiens Homo sapiens T1/2 4.6 hr 10.1128/aac.01115-06
Homo sapiens Homo sapiens Tmax 2.9 hr 10.1128/aac.01115-06
Homo sapiens Homo sapiens Vd 9.6 l 10.1128/aac.01115-06
Homo sapiens Melanocortin receptor 3 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 26999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens MT2 CC50 54100.0 nM 10.1128/aac.01766-09
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 6300.0 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 Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pepsin A Ki 2000.0 nM 10.1021/jm960541s
Homo sapiens Peroxisome proliferator-activated receptor gamma AC50 6900.0 nM 10.1038/s41467-023-40064-9
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 29000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 260.0 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 12999.9 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10999.9 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 7500.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 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 Sodium channel protein type V alpha subunit AC50 50000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 89.5 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 109.0 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 99.0 % 10.1021/jm300212s
Homo sapiens Type-1 angiotensin II receptor AC50 10999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23715.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 33498.3 nM None
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
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 22.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 29.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 37.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 39.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 40.9 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 42.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 66.0 nM 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 76.2 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 95.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 120.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 170.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 180.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 184.0 nM 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 190.0 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 204.0 nM 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 220.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 230.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 240.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 304.0 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 310.0 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 310.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 320.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 350.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 360.0 nM 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 380.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 410.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 507.0 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 580.0 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 660.0 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 5740.0 nM 10.1021/jm049454n
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 6150.0 nM 10.1021/jm049454n
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 6300.0 nM 10.1021/jm049454n
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 6730.0 nM 10.1021/jm049454n
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 7839.0 nM 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan nM 10.1021/jm049454n
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan None 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan None 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 0.8 None 10.1128/aac.00906-10
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 1.2 None 10.1128/aac.00906-10
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 1.7 None 10.1128/aac.00906-10
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 3.6 None 10.1128/aac.00906-10
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 6.7 None 10.1128/aac.00906-10
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 1.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 42.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 92.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 100.0 nM 10.1074/jbc.m703938200
Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 192.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition nan % 10.1128/aac.01228-10
Human immunodeficiency virus 1 Human immunodeficiency virus 1 pCC50 4.49 uM 10.1021/jm049454n
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 2.4 None 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 3.0 None 10.1128/aac.01228-10
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 6.0 None 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 7.7 None 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 12.4 None 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 14.1 None 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 16.0 None 10.1128/aac.00401-07
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Ratio EC50 nan None 10.1128/aac.01132-07
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease ED50 300.0 uM 10.1016/j.bmcl.2004.10.018
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease ED90 0.1 uM 10.1016/j.bmcl.2004.10.018
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease IC50 30.0 nM 10.1021/jm960541s
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease IC50 30.0 nM 10.1021/jm9802158
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease IC90 100.0 nM 10.1021/jm960541s
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease IC90 100.0 nM 10.1021/jm9802158
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease IC90 150.0 nM 10.1021/jm960541s
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Ki 0.008 nM 10.1016/j.ejmech.2016.07.056
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Ki 0.008 nM 10.1021/jm960541s
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Ki 0.008 nM 10.1021/jm9802158
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Ki 1.0 nM 10.1021/jm960541s
Human immunodeficiency virus 1 Protease Ki 0.008 nM 10.1128/aac.00401-07
Human immunodeficiency virus 1 Protease Ki nan None 10.1074/jbc.m703938200
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 300.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 2 Human immunodeficiency virus 2 EC50 330.0 nM 10.1128/aac.01766-09
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 145.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 160.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 300.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 306.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 316.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 400.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 524.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 1106.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 2028.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 2800.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 2908.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 4000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 4100.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 4436.0 nM 10.1128/aac.00870-06
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 4700.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 4800.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 6700.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC50 7300.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 700.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 800.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 1700.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 2200.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 2500.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 2600.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 2700.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 3000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 3500.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 4200.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 12000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 14000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 16000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 17000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 23000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 26000.0 nM 10.1128/aac.01284-07
Human immunodeficiency virus 2 Human immunodeficiency virus 2 IC90 29000.0 nM 10.1128/aac.01284-07
Mus musculus CAAX prenyl protease 1 homolog IC50 1200.0 nM 10.1073/pnas.0704212104
Mus musculus CAAX prenyl protease 2 Activity nan None 10.1073/pnas.0704212104
Plasmodium falciparum Plasmodium falciparum EC50 12000.0 nM 10.1128/aac.01512-09
Plasmodium falciparum Plasmodium falciparum EC50 18000.0 nM 10.1128/aac.01512-09
Plasmodium falciparum Plasmodium falciparum EC50 20000.0 nM 10.1128/aac.01512-09
Plasmodium falciparum Plasmodium falciparum EC50 21000.0 nM 10.1128/aac.01512-09
Plasmodium falciparum Plasmodium falciparum Inhibition nan % 10.1128/aac.01512-09
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 5800.0 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 Rattus norvegicus CL 2.833 mL.min-1.kg-1 10.1021/jm960541s
Rattus norvegicus Rattus norvegicus T1/2 5.4 hr 10.1021/jm960541s
Rattus norvegicus Rattus norvegicus Vdss 0.51 L.kg-1 10.1021/jm960541s
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.32 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.04844 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.18 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 3.26 % 10.21203/rs.3.rs-23951/v1
None ADMET F 30.0 % 10.1021/jm960541s
None ADMET Ratio CC50/EC50 320.0 None 10.1128/aac.01766-09
None Hepatotoxicity HepSE_bilirubinemia 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 6.0 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 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 Hepatotoxicity LTKB_BD DILI severity score 8.0 None 10.1016/j.drudis.2011.05.007
None NON-PROTEIN TARGET IC50 50.0 nM 10.1128/aac.01284-07
None NON-PROTEIN TARGET IC90 400.0 nM 10.1128/aac.01284-07
None Unchecked Ac50 19.95 uM None
None Unchecked Ac50 22.39 uM None
None Unchecked Ac50 25.12 uM None
None Unchecked AC50 19952.6 nM None
None Unchecked AC50 22387.2 nM None
None Unchecked AC50 25120.0 nM None
None Unchecked Activity 65.0 % 10.1021/acsmedchemlett.0c00521
None Unchecked IC50 600000.0 nM 10.1021/acsmedchemlett.0c00521
None Unchecked Ki 0.008 nM 10.1021/jm0497343
None Unchecked Potency 7943.3 nM None

Metabolism Information