Chembl575682


SMILES O=C(C#Cc1ccccc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5
InChIKey AUEDLHXOLUMDQZ-FQYQUSJJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 468.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 8.8 8.8 8.8 ChEMBL
κ OPRK Human Opioid A pKi 8.95 8.95 8.95 ChEMBL
κ OPRK Human Opioid A pEC50 9.52 9.52 9.52 ChEMBL
μ OPRM Human Opioid A pKi 8.88 8.88 8.88 ChEMBL