Molecule Details
InChIKeyNACOKSRFWNZWTN-JWQCQUIFSA-N
Compound NameN-tert-Butyl-2-{(3R,5R)-3-[3-(3-chloro-phenyl)-ureido]-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
Canonical SMILESCc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL9.24
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 9.3 pIC50 TTD_MultiTarget
P32239 CCKBR Homo sapiens Human PF00001 9.2 IC50 ChEMBL;BindingDB