Molecule Details
InChIKeyLEXXECNYBXJPMG-UHFFFAOYSA-N
Compound Name2-Amino-4-{2,4-dichloro-6-[2-(4-fluoropyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(2,2,2-Trifluoroethyl)amide
Canonical SMILESNc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cc(F)cn3)n1)CN(C(=O)NCC(F)(F)F)C2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.93
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07900 HSP90AA1 Homo sapiens Human PF13589 PF00183 7.3 IC50 ChEMBL
P08238 HSP90AB1 Homo sapiens Human PF13589 PF00183 7.3 IC50 ChEMBL
P08684 CYP3A4 Homo sapiens Human PF00067 6.1 IC50 ChEMBL;BindingDB