CHEMBL247758


SMILES Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIKey MNNRFUWQCDJULI-CGIBELHQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 7
Rotatable bonds 16
Molecular weight (Da) 624.3

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 9.11 9.11 9.11 ChEMBL
κ OPRK Human Opioid A pKi 5.62 5.62 5.62 ChEMBL
μ OPRM Human Opioid A pKi 8.01 8.01 8.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.6 8.6 8.6 ChEMBL
μ OPRM Human Opioid A pEC50 7.31 7.31 7.31 ChEMBL