CHEMBL3787016


SMILES Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1c([nH]c2ccccc12)C3
InChIKey MRHCIINEVDJAOZ-NODVFIEMSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 414.2

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 9.28 9.28 9.28 ChEMBL
κ OPRK Human Opioid A pKi 8.18 8.18 8.18 ChEMBL
μ OPRM Human Opioid A pKi 8.24 8.24 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.97 8.97 8.97 ChEMBL
κ OPRK Human Opioid A pEC50 8.5 8.5 8.5 ChEMBL
μ OPRM Human Opioid A pEC50 8.21 8.21 8.21 ChEMBL