CHEMBL4126803


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChIKey QORZLVRQZMNLOM-NKQBFHEZSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 10
Rotatable bonds 12
Molecular weight (Da) 1080.5

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
δ OPRD Human Opioid A pKi 8.7 8.7 8.7 ChEMBL
κ OPRK Human Opioid A pKi 8.31 8.31 8.31 ChEMBL
μ OPRM Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.93 7.43 7.93 ChEMBL
κ OPRK Human Opioid A pEC50 7.2 7.2 7.2 ChEMBL
μ OPRM Human Opioid A pEC50 6.95 6.95 6.95 ChEMBL