Molecule Details
InChIKeySLEKQRJDUVSCPY-MOROJQBDSA-N
Compound Name(2R,3R,4S,5R)-2-[6-(4-chloro-2-fluoroanilino)purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol
Canonical SMILESCCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.35
SourceChEMBL;BindingDB
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;BindingDB
P0DMS8 ADORA3 Homo sapiens Human PF00001 8.6 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 7.1 Ki ChEMBL;BindingDB