CHEMBL218327


SMILES CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey KKPFQTRKARZYLE-YKEIYGJZSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pKi 5.96 5.96 5.96 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 8.96 8.96 8.96 ChEMBL
δ OPRD Human Opioid A pKi 9.38 9.38 9.38 ChEMBL
μ OPRM Rat Opioid A pKi 8.23 8.23 8.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pIC50 5.96 5.96 5.96 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 8.55 8.55 8.56 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.96 8.96 8.96 ChEMBL
δ OPRD Human Opioid A pEC50 7.54 7.54 7.54 ChEMBL
δ OPRD Human Opioid A pIC50 9.0 9.0 9.0 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.62 7.62 7.62 ChEMBL
μ OPRM Rat Opioid A pEC50 6.28 6.28 6.28 ChEMBL
μ OPRM Rat Opioid A pIC50 7.86 7.86 7.86 ChEMBL