Molecule Details
InChIKeyIQHJAUYJWIFZFF-MAUXMWESSA-N
Compound Name1N-methyl-4-[2-chloro-6-(5-iodo-2-methoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide
Canonical SMILESCNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cc(I)ccc4OC)nc(Cl)nc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.44
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 9.2 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.7 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 6.4 Ki ChEMBL;BindingDB