Molecule Details
InChIKeyWOAZCBPWCCREDO-UQDAOCEXSA-N
Compound Name(2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenylprop-1-ynyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Canonical SMILESCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.83
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 9.1 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 8.7 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 8.7 Ki ChEMBL;BindingDB