CHEMBL336381


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)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey KSAGKPZDJHLHBS-AWSJBNSNSA-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 8.32 8.61 8.89 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.06 6.06 6.06 ChEMBL
μ OPRM Rat Opioid A pKi 6.62 6.62 6.62 ChEMBL
δ OPRD Human Opioid A pKi 5.7 6.38 7.07 ChEMBL
μ OPRM Human Opioid A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.66 6.66 6.66 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 7.5 7.5 7.5 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.32 8.32 8.32 ChEMBL
μ OPRM Rat Opioid A pEC50 8.7 8.7 8.7 ChEMBL
μ OPRM Rat Opioid A pIC50 6.26 6.26 6.26 ChEMBL
δ OPRD Human Opioid A pEC50 7.12 7.12 7.12 ChEMBL
δ OPRD Human Opioid A pIC50 6.7 6.7 6.7 ChEMBL