CHEMBL4852987


SMILES C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(COC(C)=O)C(=O)OC
InChIKey DXTJMQCRVFWNBD-FTHDSKJGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 410.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 4.0 4.0 4.0 ChEMBL
κ OPRK Human Opioid A pKi 5.6 5.61 5.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 5.7 5.71 5.71 ChEMBL
μ OPRM Mouse Opioid A pIC50 4.35 4.35 4.35 ChEMBL