Molecule Details
InChIKeyTUKMYFNCYLCVRZ-YIVQXCEWSA-N
Compound Name(1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-(methylthio)-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(NCc4cccc(Cl)c4)nc(SC)nc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.52
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P0DMS8 ADORA3 Homo sapiens Human PF00001 8.8 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.2 Ki ChEMBL;BindingDB