CHEMBL10872


SMILES CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccccc2CN1
InChIKey FIUSEJZZMQXDRM-NGURIHQZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 449.3

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 Guinea pig Opioid A pKi 8.68 8.68 8.68 ChEMBL
μ OPRM Rat Opioid A pKi 6.11 6.11 6.11 ChEMBL
δ OPRD Human Opioid A pKi 5.96 5.96 5.96 ChEMBL
κ OPRK Human Opioid A pKi 8.66 9.09 9.52 ChEMBL
μ OPRM Human Opioid A pKi 7.48 7.48 7.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 5.89 5.89 5.89 ChEMBL
κ OPRK Human Opioid A pIC50 9.3 9.3 9.3 ChEMBL
μ OPRM Human Opioid A pIC50 7.39 7.39 7.39 ChEMBL