Molecule Details
InChIKeyWUZJMSWYANTMGC-XVOCEWIJSA-N
Compound Name(1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-[2-(3,4-dimethoxyphenyl)ethylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Canonical SMILESCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(OC)c4)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.85
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P0DMS8 ADORA3 Homo sapiens Human PF00001 8.1 Ki ChEMBL
P05177 CYP1A2 Homo sapiens Human PF00067 6.4 IC50 ChEMBL
P08684 CYP3A4 Homo sapiens Human PF00067 6.1 IC50 ChEMBL