SELEGILINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 6W731X367Q
EPA CompTox DTXSID9044584
Parent Compound: SELEGILINE

Structure

InChI Key IYETZZCWLLUHIJ-UTONKHPSSA-N
Smiles C#CCN(C)[C@H](C)Cc1ccccc1.Cl
InChI
InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18ClN
Molecular Weight 223.75
AlogP 2.18
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Monoamine oxidase B inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 3.63-944 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6.59-6.79 - - -
Rattus norvegicus
- 3.63-944 - - -

Target Conservation

Protein: Monoamine oxidase B
Description: Amine oxidase [flavin-containing] B
Organism : Homo sapiens
P27338 ENSG00000069535

Cross References

Resources Reference
ChEBI 9087
ChEMBL CHEMBL1200904
FDA SRS 6W731X367Q
Guide to Pharmacology 6639
KEGG C07245
PubChem 26758
SureChEMBL SCHEMBL41392
ZINC ZINC19632633
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