CHEMBL4594798


SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O
InChIKey HUKZLTAJYFZXKH-NKQBFHEZSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 12
Molecular weight (Da) 1110.4

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 8.31 8.31 8.31 ChEMBL
κ OPRK Human Opioid A pKi 6.53 6.53 6.53 ChEMBL
μ OPRM Human Opioid A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.85 6.85 6.85 ChEMBL
δ OPRD Human Opioid A pIC50 8.05 8.05 8.05 ChEMBL
κ OPRK Human Opioid A pEC50 6.09 6.09 6.09 ChEMBL
μ OPRM Human Opioid A pEC50 8.12 8.12 8.12 ChEMBL