CHEMBL3617471


SMILES CCC(=O)N(c1ccccc1)C1CCN(Cc2cccc3c2CCC[C@H]3NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1
InChIKey RKFZVNUOHJTUPP-FYFZTIDASA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 20
Molecular weight (Da) 928.5

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
μ OPRM Rat Opioid A pKi 10.0 10.0 10.0 ChEMBL
δ OPRD Human Opioid A pKi 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.25 7.25 7.25 ChEMBL
μ OPRM Rat Opioid A pIC50 9.56 9.56 9.56 ChEMBL
δ OPRD Human Opioid A pIC50 8.92 8.92 8.92 ChEMBL