CHEMBL3617467


SMILES CCC(=O)N(CC1CCN(Cc2ccc3c(c2)CCC[C@H]3NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1
InChIKey HWRPIPZSOBLKRE-YUYOIQRKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight (Da) 843.5

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 6.5 6.5 6.5 ChEMBL
μ OPRM Rat Opioid A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 6.16 6.16 6.16 ChEMBL
δ OPRD Mouse Opioid A pIC50 6.64 6.64 6.64 ChEMBL
μ OPRM Rat Opioid A pIC50 7.67 7.67 7.67 ChEMBL