Molecule Details
InChIKeyPGPVKUCEAXXSDX-UHFFFAOYSA-N
Compound NameN-[4-(furan-2-yl)-11-(3-methylbutyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide
Canonical SMILESCC(C)CCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.13
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
P29274 ADORA2A Homo sapiens Human PF00001 6.8 Ki ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.4 Ki ChEMBL;BindingDB