CHEMBL4106505


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(=O)NCC(=O)O)cc1)C2
InChIKey DXFXLPSVVSESGD-MCAHOCMRSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 602.3

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
κ OPRK Human Opioid A pKi 6.36 6.36 6.36 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
μ OPRM Human Opioid A pEC50 5.89 5.89 5.89 ChEMBL