Molecule Details
InChIKeyMVQIKLMBJRWJAW-UHFFFAOYSA-N
Compound Name4-[5-Bromo-2-[[1-(3-methylsulfonylphenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
Canonical SMILESCc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3cccc(S(C)(=O)=O)c3)CC2)ncc1Br
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.0
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
Q72547 pol Human immunodeficiency virus type 1 Pathogen PF00075 PF00078 PF06815 PF06817 7.0 IC50 ChEMBL
Q9WJQ2 reverse transcriptase Human immunodeficiency virus type 1 Pathogen PF00078 7.0 IC50 BindingDB