Molecule Details
InChIKeyLVFMVYMRLFXZPP-SECBINFHSA-N
Compound NameN-[(2R)-butan-2-yl]-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
Canonical SMILESCC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.19
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 8.2 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.8 Ki ChEMBL;BindingDB
P29274 ADORA2A Homo sapiens Human PF00001 6.6 Ki ChEMBL;BindingDB