CHEMBL386186


SMILES CCCC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)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 STEAMACHIRWBBH-LDRAPDDUSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 13
Rotatable bonds 28
Molecular weight (Da) 1131.5

Drug properties

Molecular type Small molecule
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 5.08 5.08 5.08 ChEMBL
μ OPRM Rat Opioid A pKi 7.47 7.47 7.47 ChEMBL
δ OPRD Human Opioid A pKi 8.16 8.16 8.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.51 7.51 7.51 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.05 5.05 5.05 ChEMBL
μ OPRM Rat Opioid A pEC50 8.89 8.89 8.89 ChEMBL
μ OPRM Rat Opioid A pIC50 7.1 8.0 8.9 ChEMBL
δ OPRD Human Opioid A pEC50 8.08 8.08 8.08 ChEMBL
δ OPRD Human Opioid A pIC50 7.79 7.94 8.08 ChEMBL