Molecule Details
InChIKeyWYMLQAIFZKYEIC-UHFFFAOYSA-N
Compound Name4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenylsulfonyl)piperazin-1-yl)methyl)benzonitrile
Canonical SMILESCCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.89
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 8.2 IC50 ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.4 IC50 ChEMBL;BindingDB
P0DMS8 ADORA3 Homo sapiens Human PF00001 6.0 IC50 ChEMBL;BindingDB