CHEMBL4130303


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)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChIKey DQAHFXNORWIJPU-NKQBFHEZSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 12
Rotatable bonds 12
Molecular weight (Da) 1146.4

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
μ OPRM Human Opioid A pKi 9.57 9.57 9.57 ChEMBL
δ OPRD Human Opioid A pKi 9.3 9.32 9.34 ChEMBL
κ OPRK Human Opioid A pKi 9.06 9.06 9.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 8.46 8.46 8.46 ChEMBL
δ OPRD Human Opioid A pEC50 8.84 8.84 8.84 ChEMBL
κ OPRK Human Opioid A pEC50 7.87 7.87 7.87 ChEMBL