Chembl4113984


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2
InChIKey DIRJTFYCVZTOSH-TZJJEGCPSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 471.2

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
κ OPRK Human Opioid A pKi 6.33 6.33 6.33 ChEMBL
κ OPRK Human Opioid A pEC50 4.99 4.99 4.99 ChEMBL
μ OPRM Human Opioid A pKi 5.47 5.47 5.47 ChEMBL