CHEMBL199827


SMILES O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccccc1
InChIKey KQRGFLVMMWWNDC-JEDFLWLISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 571.4

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 7.96 7.96 7.96 ChEMBL
κ OPRK Human Opioid A pKi 9.52 9.52 9.52 ChEMBL
μ OPRM Human Opioid A pKi 9.36 9.36 9.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.42 8.42 8.42 ChEMBL
μ OPRM Human Opioid A pEC50 8.29 8.29 8.29 ChEMBL