Molecule Details
InChIKeyWAQLYLNMWXUBCF-UHFFFAOYSA-N
Compound Name9-Cyclopentyl-6-(2-{4-[2-(4-methyl-piperazin-1-yl)-ethoxy]-benzyloxy}-phenylamino)-9H-purine-2-carbonitrile
Canonical SMILESCN1CCN(CCOc2ccc(COc3ccccc3Nc3nc(C#N)nc4c3ncn4C3CCCC3)cc2)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.04
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P43235 CTSK Homo sapiens Human PF08246 PF00112 7.6 IC50 ChEMBL;BindingDB
P25774 CTSS Homo sapiens Human PF08246 PF00112 7.3 IC50 ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 6.2 IC50 ChEMBL;BindingDB