CHEMBL2369816


SMILES CCCC[C@H](NC(=O)Cc1ccc(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 JJHMASGARAAWFO-MQDBWYGVSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 9
Rotatable bonds 26
Molecular weight (Da) 896.4

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 6.02 6.02 6.02 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 5.52 5.52 5.52 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 6.71 6.71 6.71 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 7.81 7.81 7.81 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 8.04 8.04 8.04 ChEMBL