Molecule Details
InChIKeyMIBNONCHNQYLDV-XNIJJKJLSA-N
Compound Name2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Canonical SMILESOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.71
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
P30542 ADORA1 Homo sapiens Human PF00001 7.8 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 6.7 Ki ChEMBL;BindingDB