Molecule Details
InChIKeyJIRGTKPVZYPJCV-ZVWXDJDZSA-N
Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]purin-9-yl]oxolane-3,4-diol
Canonical SMILESOC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4C[C@H]4c4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.85
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
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 7.0 Ki ChEMBL;BindingDB