CHEMBL2208358


SMILES COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)c1
InChIKey JWRIEQXHORQLBO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 508.3

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 8.89 8.89 8.89 ChEMBL
κ OPRK Human Opioid A pKi 9.66 9.66 9.66 ChEMBL
μ OPRM Human Opioid A pKi 10.74 10.74 10.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.92 8.92 8.92 ChEMBL
κ OPRK Human Opioid A pEC50 8.51 8.51 8.51 ChEMBL
μ OPRM Human Opioid A pIC50 7.57 7.57 7.57 ChEMBL
μ OPRM Human Opioid A pEC50 9.66 9.66 9.66 ChEMBL