Molecule Details
InChIKeyFTYUKYLDBALLID-UHFFFAOYSA-N
Compound Name8-(1-{2-Oxo-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-1H-pyrazol-4-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Canonical SMILESCCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.46
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 8.4 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 7.2 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.8 Ki ChEMBL;BindingDB