(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{2-[5-(pyridin-4-yl)furan-2-yl]propan-2-yl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

InChIKey	`DYYJWDSYFDXNOW-FLOLVYIHSA-N`
Compound Name	(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{2-[5-(pyridin-4-yl)furan-2-yl]propan-2-yl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
Canonical SMILES	`CC(C)(c1ccc(-c2ccncc2)o1)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Cross-Family
Avg pChEMBL	8.07
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08684	CYP3A4	Homo sapiens	Human	PF00067	8.0	IC50	ChEMBL
P10635	CYP2D6	Homo sapiens	Human	PF00067	6.4	IC50	ChEMBL
P11712	CYP2C9	Homo sapiens	Human	PF00067	6.4	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	9.8	IC50	BindingDB
Q72874	pol	Human immunodeficiency virus type 1	Pathogen	PF00077	9.8	IC50	ChEMBL