SAFINAMIDE MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Salt
UNII: YS90V3DTX0
Parent Compound: SAFINAMIDE

Structure
InChI Key YKOCHIUQOBQIAC-YDALLXLXSA-N
Smile CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
InChI
InChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FN2O5S
Molecular Weight 398.46
AlogP 2.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 64.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine oxidase B inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 6.203
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 8200-8200 - - -
Membrane receptor
- 19.7 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
24.53
General disorders and administration site conditions
17.45
Psychiatric disorders
10.14
Injury, poisoning and procedural complications
6.6
Vascular disorders
6.37
Musculoskeletal and connective tissue disorders
5.42
Cardiac disorders
4.95
Eye disorders
4.95
Respiratory, thoracic and mediastinal disorders
3.54
Skin and subcutaneous tissue disorders
3.3
Gastrointestinal disorders
2.83
Investigations
2.59

Cross References

Resources Reference
ChEMBL CHEMBL48582
FDA SRS YS90V3DTX0
PubChem 3038502
SureChEMBL SCHEMBL1665715
CONTENTS