CHEMBL4129668


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

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 12
Rotatable bonds 12
Molecular weight (Da) 1090.4

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 8.39 8.39 8.4 ChEMBL
κ OPRK Human Opioid A pKi 7.75 7.75 7.76 ChEMBL
μ OPRM Human Opioid A pKi 8.62 8.62 8.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.57 7.57 7.57 ChEMBL
κ OPRK Human Opioid A pEC50 6.87 6.87 6.87 ChEMBL
μ OPRM Human Opioid A pEC50 7.06 7.06 7.06 ChEMBL