Chembl4114486


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCC(N)=O)C2
InChIKey MMRPUCTUTXECKQ-QXIQULQJSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 467.3

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 Human Opioid A pKi 7.8 7.8 7.8 ChEMBL
κ OPRK Human Opioid A pEC50 5.9 5.9 5.9 ChEMBL
μ OPRM Human Opioid A pKi 7.25 7.25 7.25 ChEMBL
μ OPRM Human Opioid A pEC50 6.24 6.24 6.24 ChEMBL