Molecule Details
InChIKeyAKLVJLLZBWQCQV-FVAGCKFDSA-N
Compound Name(1S,2R,3S,4R,5S)-4-[6-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-chloropurin-9-yl]-N-cyclopropyl-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxamide
Canonical SMILESO=C(NC1CC1)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.47
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P30542 ADORA1 Homo sapiens Human PF00001 8.9 Ki ChEMBL;BindingDB
P0DMS8 ADORA3 Homo sapiens Human PF00001 7.2 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 6.3 Ki ChEMBL;BindingDB