CHEMBL4130069


SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChIKey HLQOIFRHFGXHDY-AZOCGYLKSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 10
Rotatable bonds 12
Molecular weight (Da) 1024.4

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
δ OPRD Human Opioid A pKi 7.57 7.58 7.6 ChEMBL
κ OPRK Human Opioid A pKi 7.72 7.72 7.73 ChEMBL
μ OPRM Human Opioid A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.61 6.61 6.61 ChEMBL
κ OPRK Human Opioid A pEC50 6.47 6.47 6.47 ChEMBL
μ OPRM Human Opioid A pEC50 6.29 6.29 6.29 ChEMBL