CHEMBL4440303


SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)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)[C@@H](Cc1ccccc1)C(N)=O
InChIKey LQEROZJFLGEKCE-DEROCRMFSA-N

Chemical properties

Hydrogen bond acceptors 27
Hydrogen bond donors 19
Rotatable bonds 86
Molecular weight (Da) 2121.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pIC50 10.2 10.2 10.2 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 9.67 9.67 9.67 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.89 6.89 6.89 ChEMBL