Molecule Details
InChIKeyCHYXBVRNXVPDAR-HNPKZYAISA-N
Compound NameN-tert-Butyl-2-[(3R,5S,7R)-7-(3-fluoro-phenyl)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide
Canonical SMILESCc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)C[C@H](c3cccc(F)c3)N(CC(=O)NC(C)(C)C)C2=O)c1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.51
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 7.5 pIC50 TTD_MultiTarget
P32239 CCKBR Homo sapiens Human PF00001 7.5 IC50 ChEMBL;BindingDB