flupentixol


SMILES OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F
InChIKey NJMYODHXAKYRHW-DVZOWYKESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 434.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D1 D2 D5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pKi 6.9 6.9 6.9 Guide to Pharmacology
δ OPRD Human Opioid A pKi 4.28 4.28 4.28 ChEMBL
μ OPRM Human Opioid A pKi 5.2 5.67 6.14 ChEMBL
δ OPRD Human Opioid A pKi 8.37 8.37 8.37 Drug Central
κ OPRK Human Opioid A pKi 8.34 8.34 8.34 Drug Central
μ OPRM Human Opioid A pKi 8.21 8.21 8.21 Drug Central
κ OPRK Human Opioid A pKi 4.59 4.59 4.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pIC50 6.28 6.63 6.98 ChEMBL
μ OPRM Human Opioid A pEC50 5.21 5.21 5.21 ChEMBL
κ OPRK Human Opioid A pIC50 4.82 4.82 4.82 ChEMBL