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targets (7)
for drugs
Identification
Name Malonic acid
Accession Number DB02175 (EXPT02179)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
Malonate
Propanedioic acid
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 141-82-2
Weight Average: 104.0615
Monoisotopic: 104.010958616
Chemical Formula C3H4O4
InChI Key InChIKey=OFOBLEOULBTSOW-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Plain Text
IUPAC Name
propanedioic acid
SMILES
OC(=O)CC(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
Property Value Source
melting point 135 dec °C PhysProp
water solubility 7.63E+005 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP -0.81 HANSCH,C ET AL. (1995)
pKa 2.85 (at 25 °C) KORTUM,G ET AL (1961)
Predicted Properties
Property Value Source
water solubility 1.97e+02 g/l ALOGPS
logP -0.6 ALOGPS
logP -0.33 ChemAxon
logS 0.28 ALOGPS
pKa (strongest acidic) 2.43 ChemAxon
physiological charge -2 ChemAxon
hydrogen acceptor count 4 ChemAxon
hydrogen donor count 2 ChemAxon
polar surface area 74.6 ChemAxon
rotatable bond count 2 ChemAxon
refractivity 18.99 ChemAxon
polarizability 8.13 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C00383 Link_out
PubChem Compound 867 Link_out
PubChem Substance 46504875 Link_out
ChemSpider 844 Link_out
BindingDB 14673 Link_out
ChEBI 30794 Link_out
ChEMBL 30794 Link_out
HET MLA Link_out
Wikipedia http://en.wikipedia.org/wiki/Malonic_acid 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. Sigma factor sigB regulation protein rsbQ

Pharmacological action: unknown

Positive regulator required for energy stress activation of the sigma-B transcription factor. Could be required for rsbP phosphatase activity

Organism class: bacterial
UniProt ID: O07015 Link_out
Gene: rsbQ
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

2. Aspartate 1-decarboxylase

Pharmacological action: unknown

L-aspartate = beta-alanine + CO(2)

Organism class: bacterial
UniProt ID: P0A793 Link_out
Gene: panD
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

3. Proto-oncogene tyrosine-protein kinase Src

Pharmacological action: unknown
Organism class: human
UniProt ID: P12931 Link_out
Gene: SRC Link_out
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
  3. 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

4. Putative cytochrome P450

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9FCA6 Link_out
Gene: SCO1207
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

5. U1 small nuclear ribonucleoprotein A

Pharmacological action: unknown

Binds stem loop II of U1 snRNA. It is the first snRNP to interact with pre-mRNA. This interaction is required for the subsequent binding of U2 snRNP and the U4/U6/U5 tri-snRNP. In a snRNP-free form (SF-A) may be involved in coupled pre-mRNA splicing and polyadenylation process

Organism class: human
UniProt ID: P09012 Link_out
Gene: SNRPA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

6. Malonamidase E2

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9ZIV5 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA

7. Acetyl transferase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q8ZPC0 Link_out
Gene: rimL
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20