CHEMBL4650976


SMILES Cc1cc(=O)oc2ccc(N3C(=O)C4=C(SC[C@@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)NNC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)CS4)C3=O)cc12
InChIKey RBERMBLBNHQMAK-NKQBFHEZSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 12
Rotatable bonds 13
Molecular weight (Da) 1223.4

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 6.92 6.92 6.92 ChEMBL
μ OPRM Human Opioid A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.72 6.72 6.72 ChEMBL
κ OPRK Human Opioid A pEC50 5.39 5.39 5.39 ChEMBL
μ OPRM Human Opioid A pEC50 6.54 6.54 6.54 ChEMBL