Molecule Details
InChIKeyCWAZQSMXHLXXQI-NSDPQSHHSA-N
Compound Name(2R,3R,4S,5R)-2-[6-amino-2-[(3R)-3-hydroxy-3-phenylprop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILESNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.4
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P30542 ADORA1 Homo sapiens Human PF00001 9.4 Ki ChEMBL
P0DMS8 ADORA3 Homo sapiens Human PF00001 8.3 Ki ChEMBL
P29274 ADORA2A Homo sapiens Human PF00001 7.5 Ki ChEMBL