Chembl611400


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5C)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey HKFWFMQRXDJWRR-APKKWQIUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 498.3

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
κ OPRK Guinea pig Opioid A pKi 8.68 8.68 8.68 ChEMBL
δ OPRD Human Opioid A pEC50 7.68 7.68 7.68 ChEMBL
δ OPRD Human Opioid A pKi 8.64 8.64 8.64 ChEMBL
κ OPRK Human Opioid A pEC50 8.74 8.74 8.74 ChEMBL
μ OPRM Human Opioid A pEC50 8.59 8.59 8.59 ChEMBL