FLUPENTIXOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05AF01
UNII: FA0UYH6QUO

Structure
InChI Key NJMYODHXAKYRHW-DVZOWYKESA-N
Smile OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChI
InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H25F3N2OS
Molecular Weight 434.53
AlogP 4.6
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 26.71
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Primary Target
D1 receptor
D2 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C19 family
- 7000 - - -
Epigenetic regulator Reader Methyl-lysine/arginine binding protein WDR domain
- 7000 - - -
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 2000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 0 - - -
Membrane receptor
- 0 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 10
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 89500-89500 - - 71
Transporter Electrochemical transporter
- 89500-89500 - - 10

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 2709-56-0
ChEBI 10454
ChEMBL CHEMBL54661
DrugBank DB00875
EPA CompTox DTXSID9046310
FDA SRS FA0UYH6QUO
Guide to Pharmacology 948
KEGG C11191
SureChEMBL SCHEMBL34200
ZINC ZINC000029489118
CONTENTS