CHEMBL2048762


SMILES COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1
InChIKey QYVVCFMMYFTOBF-WIIGKZCBSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 430.3

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 6.58 6.58 6.58 ChEMBL
κ OPRK Human Opioid A pKi 8.35 8.35 8.35 ChEMBL
μ OPRM Human Opioid A pKi 9.07 9.07 9.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.3 7.3 7.3 ChEMBL
μ OPRM Human Opioid A pEC50 8.11 8.11 8.11 ChEMBL
μ OPRM Human Opioid A pIC50 6.82 6.82 6.82 ChEMBL