CHEMBL2048765


SMILES COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1
InChIKey VADMXSBIVTVLGD-KJYTXNCISA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 416.3

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 6.96 6.96 6.96 ChEMBL
κ OPRK Human Opioid A pKi 8.82 8.82 8.82 ChEMBL
μ OPRM Human Opioid A pKi 9.29 9.29 9.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 9.37 9.37 9.37 ChEMBL
μ OPRM Human Opioid A pIC50 8.7 8.7 8.7 ChEMBL