Molecule Details
InChIKeyJJNKDTWKWYLERH-UHFFFAOYSA-N
Compound Name9-Cyclopentyl-6-(2-(3-imidazol-1-yl-propoxy)-phenylamino)-9H-purine-2-carbonitrile
Canonical SMILESN#Cc1nc(Nc2ccccc2OCCCn2ccnc2)c2ncn(C3CCCC3)c2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.5
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB07967
Drug Name9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan
Cross-references: BindingDB: 50156086 CHEMBL188865 ChemSpider: 9639366 PDB: IHI PubChem:11464526 PubChem:99444438 ZINC: ZINC000013584947
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P43235 CTSK Homo sapiens Human PF08246 PF00112 8.5 IC50 ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 7.4 IC50 ChEMBL;BindingDB
P25774 CTSS Homo sapiens Human PF08246 PF00112 6.7 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P43235 CTSK Cathepsin K binder targets