CHEMBL511645


SMILES NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@]1(O)CC[C@@H](O)C3
InChIKey NWIALXFYKPFWTR-PVFUSPOPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 386.2

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
δ OPRD Human Opioid A pKi 8.41 8.41 8.41 ChEMBL
κ OPRK Human Opioid A pKi 9.47 9.47 9.47 ChEMBL
μ OPRM Human Opioid A pKi 10.0 10.07 10.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.43 8.43 8.43 ChEMBL
δ OPRD Human Opioid A pIC50 6.89 6.89 6.89 ChEMBL
κ OPRK Human Opioid A pEC50 8.57 8.57 8.57 ChEMBL
μ OPRM Human Opioid A pEC50 9.01 9.04 9.07 ChEMBL
μ OPRM Human Opioid A pIC50 8.19 8.3 8.42 ChEMBL