Molecule Details
InChIKeyVIXCVSNTFYSXDO-DPNDMPAOSA-N
Compound Name1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol
Canonical SMILESOC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.3
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 7.5 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 6.1 Ki ChEMBL;BindingDB