CHEMBL2048761


SMILES COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1
InChIKey ZPCWMLZBHFMKBB-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 6.82 6.82 6.82 ChEMBL
κ OPRK Human Opioid A pKi 8.46 8.46 8.46 ChEMBL
μ OPRM Human Opioid A pKi 9.16 9.16 9.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.41 7.41 7.41 ChEMBL
μ OPRM Human Opioid A pEC50 8.42 8.42 8.42 ChEMBL
μ OPRM Human Opioid A pIC50 7.1 7.1 7.1 ChEMBL