CHEMBL3331510


SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey BNEJMYFGXBQLFU-CIJOKURBSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 12
Molecular weight (Da) 1026.4

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
κ OPRK Rat Opioid A pKi 6.59 6.59 6.59 ChEMBL
μ OPRM Rat Opioid A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Rat Opioid A pEC50 6.32 6.32 6.32 ChEMBL
δ OPRD Mouse Opioid A pEC50 8.15 8.15 8.15 ChEMBL
δ OPRD Mouse Opioid A pIC50 8.14 8.14 8.14 ChEMBL
μ OPRM Rat Opioid A pEC50 7.12 7.12 7.12 ChEMBL