Molecule Details
InChIKeyCAAOWRJNPRFDJE-UHFFFAOYSA-N
Compound NameMethyl 1-[3-[[2,6-dimethyl-5-(methylcarbamoyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino]propyl]-4-phenylpiperidine-4-carboxylate
Canonical SMILESCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)4
Pfam Stratification Homologous
Avg pChEMBL6.85
SourceChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P35348 ADRA1A Homo sapiens Human PF00001 8.6 pIC50 TTD_MultiTarget
P08908 HTR1A Homo sapiens Human PF00001 6.4 Ki ChEMBL
P35367 HRH1 Homo sapiens Human PF00001 6.3 Ki ChEMBL
P08913 ADRA2A Homo sapiens Human PF00001 6.1 Ki ChEMBL