CHEMBL5198915


SMILES NC(=O)CNC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1
InChIKey YTJSRWAACLOYAQ-JFQCQQJMSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 10
Rotatable bonds 11
Molecular weight (Da) 809.4

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
δ OPRD Human Opioid A pKi 6.9 6.9 6.9 ChEMBL
κ OPRK Human Opioid A pKi 5.29 5.29 5.29 ChEMBL
μ OPRM Human Opioid A pKi 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 9.0 9.0 9.0 ChEMBL