CHEMBL407198


SMILES CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey NXHWDEQNHXTHJU-AYMWOJQISA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 13
Rotatable bonds 27
Molecular weight (Da) 1031.5

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
CCK2 GASR Human Cholecystokinin A pKi 5.03 5.03 5.03 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.0 5.0 5.0 ChEMBL
μ OPRM Rat Opioid A pKi 9.3 9.3 9.3 ChEMBL
δ OPRD Human Opioid A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.58 7.58 7.58 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 8.34 8.34 8.34 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.03 6.69 8.34 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 4.99 4.99 4.99 ChEMBL
μ OPRM Rat Opioid A pEC50 7.02 7.02 7.02 ChEMBL
μ OPRM Rat Opioid A pIC50 8.02 8.47 8.92 ChEMBL
δ OPRD Human Opioid A pEC50 8.03 8.03 8.03 ChEMBL
δ OPRD Human Opioid A pIC50 8.02 8.25 8.49 ChEMBL