CHEMBL566346


SMILES O=C(O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3
InChIKey BAHBDPWIXMBTRC-PTYIDMFESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 495.3

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 7.75 7.75 7.75 ChEMBL
κ OPRK Human Opioid A pKi 9.54 9.54 9.54 ChEMBL
μ OPRM Human Opioid A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.55 8.55 8.55 ChEMBL
μ OPRM Human Opioid A pEC50 8.52 8.52 8.52 ChEMBL