RASAGILINE MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII LH8C2JI290
EPA CompTox DTXSID8047848
Parent Compound: RASAGILINE

Structure

InChI Key JDBJJCWRXSVHOQ-UTONKHPSSA-N
Smiles C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O
InChI
InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17NO3S
Molecular Weight 267.35
AlogP 1.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Monoamine oxidase B inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 4.43-710 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 14-710 - - -
Rattus norvegicus
- 4.43-412 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 63620
ChEMBL CHEMBL1201142
FDA SRS LH8C2JI290
Guide to Pharmacology 6641
KEGG D08469
PDB RAS
PubChem 3052775
SureChEMBL SCHEMBL158439
ZINC ZINC19875504
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