Molecule Details
InChIKeyZXPDGTGMZKIESV-LUZJUFSVSA-N
Compound Name(1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Canonical SMILESCNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.9
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P0DMS8 ADORA3 Homo sapiens Human PF00001 8.4 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 7.7 Ki ChEMBL;BindingDB
P41595 HTR2B Homo sapiens Human PF00001 7.5 Ki ChEMBL;BindingDB