Details of the Drug

General Information of Drug (ID: DM0J2ZT)

• Drug Name: Safinamide mesylate
• Synonyms: Safinamide mesylate; Safinamide mesilate; PNU-151774E; UNII-YS90V3DTX0; FCE-28073; NW-1015; Safinamide mesylate [USAN]; YS90V3DTX0; FCE-28073(R-isomer); Safinamide mesylate (USAN); safinamide methanesulfonate; PNU 151774E; Xadago (TN); NW 1015; AC1MI4YU; Safinamide mesilate (JAN)

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Approved	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 398.5
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 7
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C18H23FN2O5S
  IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
  Canonical SMILES: C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)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
  InChIKey: YKOCHIUQOBQIAC-YDALLXLXSA-N
• Cross-matching ID:
  PubChem CID: 3038502
  CAS Number: 202825-46-5
  TTD ID: D0XM1A
  INTEDE ID: DR1456

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[2]
Monoamine oxidase type A (MAO-A) Main DME	DERE4TU	AOFA_HUMAN	Substrate	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Parkinson disease
• ICD Disease Classification: 8A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07
Monoamine oxidase type A (MAO-A)	DME	MAOA	8.14E-01	5.23E-02	1.01E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	1.04E-02	6.29E-02	3.54E-01

References

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