CHEMBL3617468


SMILES CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc3c(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
InChIKey IYOSRBUHFCAZEI-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 6.14 6.14 6.14 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 5.8 5.8 5.8 ChEMBL
δ OPRD Mouse Opioid A pIC50 6.3 6.3 6.3 ChEMBL
μ OPRM Rat Opioid A pIC50 7.65 7.65 7.65 ChEMBL