Molecule Details
InChIKeyIDVXTFYPPUNLDO-AXAPSJFSSA-N
Compound Name(2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol
Canonical SMILESO[C@@H]1[C@H](O)CS[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.13
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 8.7 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 6.5 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.2 Ki ChEMBL;BindingDB