Molecule Details
InChIKeyVOASEWXFCTZRDF-UHFFFAOYSA-N
Compound Name5-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methylpent-4-yn-2-ol
Canonical SMILESCOc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.71
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 9.3 IC50 ChEMBL;BindingDB
P14625 HSP90B1 Homo sapiens Human PF13589 PF00183 7.2 Ki ChEMBL;BindingDB
Q12931 TRAP1 Homo sapiens Human PF13589 PF00183 6.6 Ki ChEMBL;BindingDB