Details of the Drug

General Information of Drug (ID: DMKE18W)

• Drug Name: Methionine Sulfoxide
• Synonyms: Methionine sulfoxide; DL-Methionine sulfoxide; methionine sulfoxide; 62697-73-8; 454-41-1; dl-methioninesulfoxide; 2-Amino-4-(methylsulfinyl)butanoic acid; Uethionine, S-oxide; Methionine, S-oxide; Butanoic acid, 2-amino-4-(methylsulfinyl)-; 2-Amino-4-(methylsulfinyl)butyric acid; H-DL-Met(O)-OH; 2-amino-4-methanesulfinylbutanoic acid; BUTYRIC ACID, 2-AMINO-4-(METHYLSULFINYL)-; SQ 2292; 2-Amino-4-(methylsulphinyl)butyric acid; MFCD00002620; S-OXYMETHIONINE; (1)-2-Amino-4-(methylsulphinyl)butyric acid; 4241-59-2; methioninsulfoxid; S-Oxymethionine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 165.21
  Logarithm of the Partition Coefficient (xlogp); -4.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C5H11NO3S
  IUPAC Name: 2-amino-4-methylsulfinylbutanoic acid
  Canonical SMILES: CS(=O)CCC(C(=O)O)N
  InChI: InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
  InChIKey: QEFRNWWLZKMPFJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 847
  ChEBI ID: CHEBI:49033
  CAS Number: 62697-73-8
  UNII: O74B4F6OYL
  DrugBank ID: DB02235
  TTD ID: D0XV3B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Amyloid beta A4 protein (APP)	TTE4KHA	A4_HUMAN	Inhibitor	[1]
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Amyloid beta A4 protein (APP)	DTT	APP	1.60E-02	-0.07	-0.31

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.