CHEMBL4758706


SMILES CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
InChIKey HWGZSWNNZSPKNV-LKARYRLESA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 14
Rotatable bonds 37
Molecular weight (Da) 1488.7

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
CCK2 GASR Rat Cholecystokinin A pEC50 8.9 8.9 8.9 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 7.91 7.91 7.91 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.89 8.89 8.89 ChEMBL