Trade Names: | |
Synonyms: | |
Status: | Approved (2006) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | LH8C2JI290 |
Parent Compound: | RASAGILINE |
InChI Key | JDBJJCWRXSVHOQ-UTONKHPSSA-N |
---|---|
Smile | |
InChI |
|
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 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Monoamine oxidase B inhibitor | FDA |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 14-36 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Parkinson Disease | 4 | D010300 | ClinicalTrials |
Multiple System Atrophy | 2 | D019578 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 63620 |
ChEMBL | CHEMBL1201142 |
EPA CompTox | DTXSID8047848 |
FDA SRS | LH8C2JI290 |
Guide to Pharmacology | 6641 |
KEGG | D08469 |
PDB | RAS |
PubChem | 3052775 |
SureChEMBL | SCHEMBL158439 |
ZINC | ZINC19875504 |