CHEMBL2048770


SMILES Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1
InChIKey QYMIRKJXTGMTBG-KJYTXNCISA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 416.3

Drug properties

Molecular type Small molecule
Physiological/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 6.92 6.92 6.92 ChEMBL
κ OPRK Human Opioid A pKi 8.64 8.64 8.64 ChEMBL
μ OPRM Human Opioid A pKi 9.46 9.46 9.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.42 7.42 7.42 ChEMBL
μ OPRM Human Opioid A pEC50 8.44 8.44 8.44 ChEMBL
μ OPRM Human Opioid A pIC50 7.12 7.12 7.12 ChEMBL