Molecule Details
InChIKeyQHHRSGXUBJPGLM-CALCHBBNSA-N
Compound Name3-cyclopentyl-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
Canonical SMILESC[C@@H]1CN(c2ccc(Nc3ncc4ccc5ncc(C6CCCC6)n5c4n3)nc2)C[C@H](C)N1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.12
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P11802 CDK4 Homo sapiens Human PF00069 8.1 IC50 ChEMBL;BindingDB
P24385 CCND1 Homo sapiens Human PF02984 PF00134 8.1 IC50 ChEMBL;BindingDB
Q00534 CDK6 Homo sapiens Human PF00069 8.1 IC50 ChEMBL