Molecule Details
InChIKeySYGCFCSEEIGJCO-CLJLJLNGSA-N
Compound NameN-tert-Butyl-2-((3R,5R)-8-methyl-2-oxo-3-{3-[3-(1H-tetrazol-5-yl)-phenyl]-ureido}-5-p-tolyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide
Canonical SMILESCc1ccc([C@H]2C[C@@H](NC(=O)Nc3cccc(-c4nn[nH]n4)c3)C(=O)N(CC(=O)NC(C)(C)C)c3cc(C)ccc32)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.05
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P32238 CCKAR Homo sapiens Human PF00001 PF09193 8.1 pIC50 TTD_MultiTarget
P32239 CCKBR Homo sapiens Human PF00001 8.1 IC50 ChEMBL;BindingDB