Molecule Details
InChIKeyVHAAOROZSHMZRJ-MLKSZZLFSA-N
Compound NameN-tert-Butyl-2-{(3R,5S,7R)-2-oxo-7-phenyl-5-o-tolyl-3-[3-(3-trifluoromethyl-phenyl)-ureido]-azepan-1-yl}-acetamide
Canonical SMILESCc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.55
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