PERHEXILINE MALEATE

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Synonyms
Status
Molecule Category Mixture
UNII K7V8Y90G0H
EPA CompTox DTXSID1021114

Structure

InChI Key JDZOTSLZMQDFLG-BTJKTKAUSA-N
Smiles 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

Mechanism of Action Action Reference
Carnitine O-palmitoyltransferase 1, muscle isoform inhibitor INHIBITOR PubMed Other PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 68.81-92.29
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 68.81-92.29

Target Conservation

Protein: Serine/threonine-protein kinase mTOR
Description: Serine/threonine-protein kinase mTOR
Organism : Homo sapiens
P42345 ENSG00000198793

Cross References

Resources Reference
ChEMBL CHEMBL1334033
FDA SRS K7V8Y90G0H
PubChem 5284439
SureChEMBL SCHEMBL123149
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