CHEMBL414087


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-RXFVQNAMSA-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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pKi 7.51 7.51 7.51 ChEMBL
δ OPRD Human Opioid A pKi 7.35 7.35 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.62 7.62 7.62 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 7.8 7.8 7.8 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 5.0 6.4 7.8 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 4.45 4.45 4.45 ChEMBL
μ OPRM Rat Opioid A pEC50 6.68 6.68 6.68 ChEMBL
μ OPRM Rat Opioid A pIC50 6.69 6.94 7.19 ChEMBL
δ OPRD Human Opioid A pIC50 7.03 7.08 7.13 ChEMBL
δ OPRD Human Opioid A pEC50 7.13 7.13 7.13 ChEMBL