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targets (5) carriers (1)
for drugs
Identification
Name Propanoic Acid
Accession Number DB03766 (EXPT02641)
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 79-09-4
Weight Average: 74.0785
Monoisotopic: 74.036779436
Chemical Formula C3H6O2
InChI Key InChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Plain Text
IUPAC Name
propanoic acid
SMILES
CCC(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 -20.7 °C PhysProp
boiling point 141.1 °C PhysProp
water solubility 1E+006 mg/L (at 25 °C) US EPA (1981)
logP 0.33 HANSCH,C ET AL. (1995)
pKa 4.88 SERJEANT,EP & DEMPSEY,B (1979)
Predicted Properties
Property Value Source
water solubility 3.52e+02 g/l ALOGPS
logP 0.31 ALOGPS
logP 0.48 ChemAxon
logS 0.68 ALOGPS
pKa (strongest acidic) 4.75 ChemAxon
physiological charge -1 ChemAxon
hydrogen acceptor count 2 ChemAxon
hydrogen donor count 1 ChemAxon
polar surface area 37.3 ChemAxon
rotatable bond count 1 ChemAxon
refractivity 17.27 ChemAxon
polarizability 7.24 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Drug D02310 Link_out
KEGG Compound C00163 Link_out
PubChem Compound 1032 Link_out
PubChem Substance 46508742 Link_out
ChEBI 30768 Link_out
ChEMBL 30768 Link_out
IUPHAR 1062 Link_out
Guide to Pharmacology 1062 Link_out
HET PPI 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. Non-heme chloroperoxidase

Pharmacological action: unknown

2 RH + 2 Cl(-) + H(2)O(2) = 2 RCl + 2 H(2)O

Organism class: bacterial
UniProt ID: O31158 Link_out
Gene: cpo
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. Gephyrin

Pharmacological action: unknown

Microtubule-associated protein involved in membrane protein-cytoskeleton interactions. It is thought to anchor the inhibitory glycine receptor (GLYR) to subsynaptic microtubules (By similarity). Involved in molybdenum cofactor biosynthesis. Required for molybdenum transfer to molybdopterin. In a first step, copper-molybdopterin is adenylated. Subsequently, molybdate is inserted into adenylated molybdopterin and AMP is released (By similarity)

Organism class: human
UniProt ID: Q9NQX3 Link_out
Gene: GPHN
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

3. Hypothetical protein

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9HX49 Link_out
Gene: PA3967
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

4. 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: P96965 Link_out
Gene: cumD
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

5. Alanine racemase

Pharmacological action: unknown

Provides the D-alanine required for cell wall biosynthesis

Organism class: bacterial
UniProt ID: P10724 Link_out
Gene: alr
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
Carriers

1. Fatty acid-binding protein, adipocyte

Lipid transport protein in adipocytes. Binds both long chain fatty acid and retinoic acid

UniProt ID: P15090 Link_out
Gene: FABP4 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
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22