CHEMBL4650776


SMILES Cc1cc(=O)oc2cc(NC(=O)CCN3C(=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)ccc12
InChIKey TZISJHJRDIAPKU-WNTLKJHNSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 13
Rotatable bonds 16
Molecular weight (Da) 1294.4

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 7.01 7.01 7.01 ChEMBL
μ OPRM Human Opioid A pKi 6.29 6.29 6.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.6 6.6 6.6 ChEMBL
κ OPRK Human Opioid A pEC50 6.0 6.0 6.0 ChEMBL
μ OPRM Human Opioid A pEC50 6.57 6.57 6.57 ChEMBL