SAFINAMIDE

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Synonyms
Status
Molecule Category Free-form
ATC N04BD03
UNII 90ENL74SIG
EPA CompTox DTXSID601010282

Structure

InChI Key NEMGRZFTLSKBAP-LBPRGKRZSA-N
Smiles 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

Mechanism of Action Action Reference
Monoamine oxidase B inhibitor INHIBITOR Other FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 5.129-450 187.2 2.29-450 -1.6-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 5.129-450 187.2 2.29-450 -1.6-100
Rattus norvegicus
- 18-98 - - -

Target Conservation

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

Related Entries

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