SAFINAMIDE

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N04BD03
UNII: 90ENL74SIG

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19FN2O2
Molecular Weight 302.35
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
Primary Target
Monoamine oxidase B
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
15000 0.023-223500 187.2 2.29-450 -1.6-30.5
Enzyme Transferase
- - - - 12.51
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 83.64-88.79
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 33000-100000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple System Atrophy 2 D019578 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 133865-89-1
ChEBI 134718
ChEMBL CHEMBL396778
DrugBank DB06654
DrugCentral 4921
FDA SRS 90ENL74SIG
Guide to Pharmacology 8291
PubChem 131682
SureChEMBL SCHEMBL69350
ZINC ZINC000053084692
CONTENTS