CHEMBL218763


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-NOGCUKNYSA-N

Chemical properties

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

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pKi 7.82 7.82 7.82 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.44 5.44 5.44 ChEMBL
μ OPRM Rat Opioid A pKi 7.0 7.0 7.0 ChEMBL
δ OPRD Human Opioid A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.19 7.19 7.19 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.82 7.82 7.82 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 7.8 7.8 7.8 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.44 5.44 5.44 ChEMBL
μ OPRM Rat Opioid A pEC50 7.65 7.66 7.66 ChEMBL
μ OPRM Rat Opioid A pIC50 6.61 6.61 6.61 ChEMBL
δ OPRD Human Opioid A pEC50 8.6 8.6 8.6 ChEMBL
δ OPRD Human Opioid A pIC50 7.73 7.73 7.73 ChEMBL