Molecule Details
InChIKeyAARZBDDJPFYPSG-UHFFFAOYSA-N
Compound Name8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-phenyl}-1-butyl-3,7-dihydro-purine-2,6-dione
Canonical SMILESCCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc2c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.37
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P29275 ADORA2B Homo sapiens Human PF00001 8.9 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.9 Ki ChEMBL;BindingDB
P0DMS8 ADORA3 Homo sapiens Human PF00001 6.3 Ki ChEMBL;BindingDB