CHEMBL423907


SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey UPYRHIUUCMHYRX-GOXAKLKVSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 28
Molecular weight (Da) 976.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pKi 5.8 5.8 5.8 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pKi 10.52 10.52 10.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 5.13 5.13 5.13 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 10.35 10.35 10.35 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 10.6 10.6 10.6 ChEMBL