CHEMBL4098662


SMILES Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1CC1CCCCC1)C2
InChIKey DLEYHYPAZXRWKY-SWBXKLIHSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 446.3

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 8.84 8.84 8.84 ChEMBL
κ OPRK Human Opioid A pKi 9.11 9.11 9.11 ChEMBL
μ OPRM Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.77 8.77 8.77 ChEMBL
κ OPRK Human Opioid A pEC50 8.24 8.24 8.24 ChEMBL
μ OPRM Human Opioid A pEC50 7.68 7.68 7.68 ChEMBL