CHEMBL386212


SMILES CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey KYWMQIRORZGHDH-QOIWPSRPSA-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 5.11 5.11 5.11 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 5.16 5.16 5.16 ChEMBL
μ OPRM Rat Opioid A pKi 7.89 7.89 7.89 ChEMBL
δ OPRD Human Opioid A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.92 7.92 7.92 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.11 5.11 5.11 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.15 5.15 5.15 ChEMBL
μ OPRM Rat Opioid A pEC50 7.12 7.12 7.12 ChEMBL
μ OPRM Rat Opioid A pIC50 7.13 7.33 7.54 ChEMBL
δ OPRD Human Opioid A pEC50 7.72 7.72 7.72 ChEMBL
δ OPRD Human Opioid A pIC50 7.7 8.14 8.59 ChEMBL