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targets (3)
for drugs
Identification
Name Methionine Sulfoxide
Accession Number DB02235 (EXPT02921)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 62697-73-8
Weight Average: 165.211
Monoisotopic: 165.045963913
Chemical Formula C5H11NO3S
InChI Key InChIKey=QEFRNWWLZKMPFJ-KNODYTOMSA-N
InChI
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m1/s1
Plain Text
IUPAC Name
(2R)-2-amino-4-[(S)-methanesulfinyl]butanoic acid
SMILES
C[S@](=O)CC[C@@H](N)C(O)=O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 5.40e+01 g/l ALOGPS
logP -2.4 ALOGPS
logP -4.6 ChemAxon
logS -0.49 ALOGPS
pKa (strongest acidic) 1.74 ChemAxon
pKa (strongest basic) 9.11 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 4 ChemAxon
hydrogen donor count 2 ChemAxon
polar surface area 80.39 ChemAxon
rotatable bond count 4 ChemAxon
refractivity 39.34 ChemAxon
polarizability 16.07 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 9577091 Link_out
PubChem Substance 46504569 Link_out
ChemSpider 824 Link_out
ChEBI 49033 Link_out
ChEMBL 49033 Link_out
HET SME Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Protease

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q93UV9 Link_out
Gene: PROF
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

2. Amyloid beta A4 protein

Pharmacological action: unknown

The gamma-CTF peptides as well as the caspase-cleaved peptides, including C31, are potent enhancers of neuronal apoptosis

Organism class: human
UniProt ID: P05067 Link_out
Gene: APP
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

3. Catalase

Pharmacological action: unknown

Decomposes hydrogen peroxide into water and oxygen; serves to protect cells from the toxic effects of hydrogen peroxide

Organism class: bacterial
UniProt ID: P29422 Link_out
Gene: katA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20