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targets (5)
for drugs
Identification
Name Maleic Acid
Accession Number DB04299 (EXPT02106)
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
  • Enzyme Inhibitors
CAS number 110-16-7
Weight Average: 116.0722
Monoisotopic: 116.010958616
Chemical Formula C4H4O4
InChI Key InChIKey=VZCYOOQTPOCHFL-OWOJBTEDSA-N
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
Plain Text
IUPAC Name
(2E)-but-2-enedioic acid
SMILES
OC(=O)\C=C\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
Property Value Source
melting point 130.5 °C PhysProp
water solubility 4.41E+005 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP -0.48 SANGSTER (1994)
pKa 1.83 LIDE,DR (1996)
Predicted Properties
Property Value Source
water solubility 2.41e+01 g/l ALOGPS
logP 0.21 ALOGPS
logP -0.041 ChemAxon
logS -0.68 ALOGPS
pKa (strongest acidic) 3.55 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 24.61 ChemAxon
polarizability 9.35 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C01384 Link_out
PubChem Compound 444972 Link_out
PubChem Substance 46508977 Link_out
ChEBI 18300 Link_out
ChEMBL 18300 Link_out
HET MAE 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. Aspartate aminotransferase, cytoplasmic

Pharmacological action: unknown
Organism class: human
UniProt ID: P17174 Link_out
Gene: GOT1 Link_out
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

2. Aspartate aminotransferase

Pharmacological action: unknown

L-aspartate + 2-oxoglutarate = oxaloacetate + L-glutamate

Organism class: bacterial
UniProt ID: P00509 Link_out
Gene: aspC
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. Trypanothione reductase

Pharmacological action: unknown

Trypanothione is the parasite analog of glutathione; this enzyme is the equivalent of glutathione reductase

Organism class: parasitic
UniProt ID: P28593 Link_out
Gene: TPR
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

4. Aspartate aminotransferase

Pharmacological action: unknown

L-aspartate + 2-oxoglutarate = oxaloacetate + L-glutamate

Organism class: bacterial
UniProt ID: Q56232 Link_out
Gene: aspC
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

5. Aromatic-amino-acid aminotransferase

Pharmacological action: unknown

Shows activities toward both dicarboxylic and aromatic substrates

Organism class: bacterial
UniProt ID: P95468 Link_out
Gene: tyrB
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 16:23