Molecule Details
InChIKeyWTSRCKFFAWSKBH-MOROJQBDSA-N
Compound Name(2R,3R,4S,5R)-2-[6-[(3-bromophenyl)methylamino]-2-chloropurin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol
Canonical SMILESCCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.48
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 9.5 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 8.8 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 7.2 Ki ChEMBL;BindingDB