PERHEXILINE MALEATE

Search structure
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K7V8Y90G0H

Structure
InChI Key JDZOTSLZMQDFLG-BTJKTKAUSA-N
Smile C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H39NO4
Molecular Weight 393.57
AlogP 5.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Carnitine O-palmitoyltransferase 1, muscle isoform inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 32000 - - 6.547
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2.96
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Lysophosphatidylinositol receptor
- 3188.77 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 68.81
Unclassified protein
- 12900 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1334033
EPA CompTox DTXSID1021114
FDA SRS K7V8Y90G0H
PubChem 5284439
SureChEMBL SCHEMBL123149
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