CHEMBL3084549


SMILES CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIKey VQBNHSQWESCIPZ-VXECKQGCSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 479.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pKi 8.22 8.22 8.22 ChEMBL
μ OPRM Human Opioid A pKi 6.51 6.51 6.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.72 7.72 7.72 ChEMBL
μ OPRM Human Opioid A pEC50 5.71 5.71 5.71 ChEMBL