4-[5-Bromo-2-[[1-[(2-chloro-4-methylsulfonyl-phenyl)methyl]-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile

InChIKey	`IGBORPMTTHEACU-UHFFFAOYSA-N`
Compound Name	4-[5-Bromo-2-[[1-[(2-chloro-4-methylsulfonyl-phenyl)methyl]-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
Canonical SMILES	`Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3Cl)CC2)ncc1Br`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Homologous
Avg pChEMBL	7.45
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q9WJQ2	reverse transcriptase	Human immunodeficiency virus type 1	Pathogen	PF00078	7.5	IC50	BindingDB
Q72547	pol	Human immunodeficiency virus type 1	Pathogen	PF00075 PF00078 PF06815 PF06817	7.3	IC50	ChEMBL