CHEMBL4570130


SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey VNDOMFNPSJBMRV-MKFDRYHQSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 18
Rotatable bonds 72
Molecular weight (Da) 1835.9

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 Human Cholecystokinin A pIC50 9.4 9.4 9.4 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 9.5 9.5 9.5 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 6.66 6.66 6.66 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 6.93 6.93 6.93 ChEMBL