FLUPENTIXOL

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Synonyms
Status
Molecule Category Free-form
ATC N05AF01
UNII FA0UYH6QUO
EPA CompTox DTXSID9046310

Structure

InChI Key NJMYODHXAKYRHW-DVZOWYKESA-N
Smiles 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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 0.3-3 - - -
Membrane receptor
- 0.3-3 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 9.5-30.2
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 71
Transporter Electrochemical transporter
- - - - 9.5-30.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 9.5-71
Mus musculus
187-199 - - - -
Staphylococcus aureus
- - - - 82

Related Entries

Cross References

Resources Reference
ChEBI 10454
ChEMBL CHEMBL54661
DrugBank DB00875
FDA SRS FA0UYH6QUO
Guide to Pharmacology 948
KEGG C11191
SureChEMBL SCHEMBL34200
ZINC ZINC000029489118
CONTENTS