Molecule Details
InChIKeyLUOMIGGBSDWMMY-QKWCYAJMSA-N
Compound Name(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-ethynylpurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Canonical SMILESC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.83
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 8.9 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.8 Ki ChEMBL;BindingDB