Molecule Details
InChIKeySESXHBRHIPVWPS-UHFFFAOYSA-N
Compound Name1-[2-[2-[[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3-diethoxyphosphorylpyrrolidin-3-ol
Canonical SMILESCCOP(=O)(OCC)C1(O)CCN(CCN2CCc3nc(Nc4ncc(F)c(-c5cc(F)c6nc(C)n(C(C)(C)C)c6c5)n4)ccc3C2)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.08
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q00534 CDK6 Homo sapiens Human PF00069 8.5 IC50 ChEMBL;BindingDB
P11802 CDK4 Homo sapiens Human PF00069 8.5 IC50 ChEMBL;BindingDB
P24941 CDK2 Homo sapiens Human PF00069 7.2 IC50 ChEMBL;BindingDB