CHEMBL2208361


SMILES CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1
InChIKey XFOARTFWCZZTDK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 536.3

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 8.72 8.72 8.72 ChEMBL
κ OPRK Human Opioid A pKi 8.8 8.8 8.8 ChEMBL
μ OPRM Human Opioid A pKi 9.64 9.64 9.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.75 7.75 7.75 ChEMBL
κ OPRK Human Opioid A pEC50 8.27 8.27 8.27 ChEMBL
μ OPRM Human Opioid A pIC50 7.89 7.89 7.89 ChEMBL
μ OPRM Human Opioid A pEC50 8.64 8.64 8.64 ChEMBL