Molecule Details
InChIKeyJCTVCYAMDFKFLR-UHFFFAOYSA-N
Compound Name1-[5-(4-Cyano-4-phenyl-piperidin-1-yl)-pentyl]-6-(3,4-difluoro-phenyl)-4-methoxymethyl-2-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester
Canonical SMILESCOCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.32
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P35348 ADRA1A Homo sapiens Human PF00001 9.4 Ki ChEMBL;BindingDB
P35368 ADRA1B Homo sapiens Human PF00001 6.4 Ki ChEMBL;BindingDB
P25100 ADRA1D Homo sapiens Human PF00001 6.2 Ki ChEMBL;BindingDB