Molecule Details
InChIKeyZPZDGGXNORFAFM-YOLPVHPBSA-N
Compound Nameethyl (1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[4-(2-phenylethylamino)-2-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]bicyclo[3.1.0]hexane-1-carboxylate
Canonical SMILESCCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NCCc4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL6.39
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P41145 OPRK1 Homo sapiens Human PF00001 6.7 Ki ChEMBL
Q9UNQ0 ABCG2 Homo sapiens Human PF01061 PF19055 PF00005 6.4 IC50 ChEMBL
P0DMS8 ADORA3 Homo sapiens Human PF00001 6.3 Ki ChEMBL
P41143 OPRD1 Homo sapiens Human PF00001 6.2 Ki ChEMBL