(2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-3-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)-4-{[1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]methyl}piperazine-2-carboxamide

InChIKey	`WUIIVYZPUDLMGE-OTTPZFKLSA-N`
Compound Name	(2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-3-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)-4-{[1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]methyl}piperazine-2-carboxamide
Canonical SMILES	`O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(Cc2ccn(-c3ccc(F)c(F)c3F)c2)C[C@H]1C(=O)NCC(F)(F)F`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	9.3
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08684	CYP3A4	Homo sapiens	Human	PF00067	7.3	IC50	ChEMBL
P12497	gag-pol	Human immunodeficiency virus type 1 group M subtype B (isolate NY5)	Pathogen	PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098	10.3	IC50	BindingDB
Q72874	pol	Human immunodeficiency virus type 1	Pathogen	PF00077	10.3	IC50	ChEMBL