Glutaric Acid
Identification
- Name
- Glutaric Acid
- Accession Number
- DB03553
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Glutaric Acid (DB03553)
- Weight
- Average: 132.1146
Monoisotopic: 132.042258744 - Chemical Formula
- C5H8O4
- Synonyms
- Not Available
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UAspartate aminotransferase Not Available Escherichia coli (strain K12) UGlutamate decarboxylase alpha Not Available Escherichia coli (strain K12) UBranched-chain-amino-acid aminotransferase Not Available Escherichia coli (strain K12) - 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
- Adverse Effects
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcetazolamide The excretion of Glutaric Acid can be decreased when combined with Acetazolamide. Acetylsalicylic acid The excretion of Glutaric Acid can be decreased when combined with Acetylsalicylic acid. Acyclovir The excretion of Glutaric Acid can be decreased when combined with Acyclovir. Adefovir dipivoxil The excretion of Glutaric Acid can be decreased when combined with Adefovir dipivoxil. Allopurinol The excretion of Allopurinol can be decreased when combined with Glutaric Acid. Alprostadil The excretion of Alprostadil can be decreased when combined with Glutaric Acid. Aminohippuric acid The excretion of Glutaric Acid can be decreased when combined with Aminohippuric acid. Aminophenazone The excretion of Glutaric Acid can be decreased when combined with Aminophenazone. Amoxicillin The excretion of Glutaric Acid can be decreased when combined with Amoxicillin. Antipyrine The excretion of Glutaric Acid can be decreased when combined with Antipyrine. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Dicarboxylic acids and derivatives
- Direct Parent
- Dicarboxylic acids and derivatives
- Alternative Parents
- Fatty acids and conjugates / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Dicarboxylic acid or derivatives / Fatty acid / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- alpha,omega-dicarboxylic acid (CHEBI:17859) / Dicarboxylic acids (C00489)
Chemical Identifiers
- UNII
- H849F7N00B
- CAS number
- 110-94-1
- InChI Key
- JFCQEDHGNNZCLN-UHFFFAOYSA-N
- InChI
- InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
- IUPAC Name
- pentanedioic acid
- SMILES
- OC(=O)CCCC(O)=O
References
- Synthesis Reference
Guiseppe Gigliotti, Jean-Michel Roul, "Process for the preparation of 3-methyl-3-hydroxy-glutaric acid." U.S. Patent US4467108, issued June, 1980.
US4467108- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000661
- KEGG Compound
- C00489
- PubChem Compound
- 743
- PubChem Substance
- 46506371
- ChemSpider
- 723
- 1943799
- ChEBI
- 17859
- ChEMBL
- CHEMBL1162495
- ZINC
- ZINC000000388706
- PDBe Ligand
- GUA
- Wikipedia
- Glutaric_acid
- PDB Entries
- 1ams / 1b4n / 1czc / 1iyd / 1jw0 / 1xey / 3p4r / 4jxy / 4lh3 / 4utr … show 5 more
Clinical Trials
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 (°C) 97.8 °C PhysProp boiling point (°C) 303 °C PhysProp water solubility 1.6E+006 mg/L (at 28 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) logP -0.29 HANSCH,C ET AL. (1995) logS 1 ADME Research, USCD pKa 4.34 (at 25 °C) KORTUM,G ET AL (1961) - Predicted Properties
Property Value Source Water Solubility 56.0 mg/mL ALOGPS logP -0.25 ALOGPS logP 0.046 ChemAxon logS -0.37 ALOGPS pKa (Strongest Acidic) 3.76 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 74.6 Å2 ChemAxon Rotatable Bond Count 4 ChemAxon Refractivity 28.14 m3·mol-1 ChemAxon Polarizability 12.17 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.5167 Blood Brain Barrier + 0.8713 Caco-2 permeable - 0.6629 P-glycoprotein substrate Non-substrate 0.734 P-glycoprotein inhibitor I Non-inhibitor 0.9848 P-glycoprotein inhibitor II Non-inhibitor 0.9653 Renal organic cation transporter Non-inhibitor 0.9436 CYP450 2C9 substrate Non-substrate 0.8292 CYP450 2D6 substrate Non-substrate 0.9096 CYP450 3A4 substrate Non-substrate 0.7522 CYP450 1A2 substrate Non-inhibitor 0.8704 CYP450 2C9 inhibitor Non-inhibitor 0.9683 CYP450 2D6 inhibitor Non-inhibitor 0.9709 CYP450 2C19 inhibitor Non-inhibitor 0.9812 CYP450 3A4 inhibitor Non-inhibitor 0.966 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9931 Ames test Non AMES toxic 0.9462 Carcinogenicity Non-carcinogens 0.8197 Biodegradation Ready biodegradable 0.9123 Rat acute toxicity 1.5523 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9651 hERG inhibition (predictor II) Non-inhibitor 0.9751
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Pyridoxal phosphate binding
- Specific Function
- Not Available
- Gene Name
- aspC
- Uniprot ID
- P00509
- Uniprot Name
- Aspartate aminotransferase
- Molecular Weight
- 43572.965 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- 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:17016423]
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Pyridoxal phosphate binding
- Specific Function
- Converts glutamate to gamma-aminobutyrate (GABA), consuming one intracellular proton in the reaction. The gad system helps to maintain a near-neutral intracellular pH when cells are exposed to extr...
- Gene Name
- gadA
- Uniprot ID
- P69908
- Uniprot Name
- Glutamate decarboxylase alpha
- Molecular Weight
- 52684.685 Da
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- L-valine transaminase activity
- Specific Function
- Acts on leucine, isoleucine and valine.
- Gene Name
- ilvE
- Uniprot ID
- P0AB80
- Uniprot Name
- Branched-chain-amino-acid aminotransferase
- Molecular Weight
- 34093.4 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- 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:17016423]
Transporters
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- SubstrateInhibitor
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Involved in the renal elimination of endogenous and exogenous organic anions. Functions as organic anion exchanger when the uptake of one molecule of organic anion is coupled with an efflux of one ...
- Gene Name
- SLC22A6
- Uniprot ID
- Q4U2R8
- Uniprot Name
- Solute carrier family 22 member 6
- Molecular Weight
- 61815.78 Da
References
- Cihlar T, Ho ES: Fluorescence-based assay for the interaction of small molecules with the human renal organic anion transporter 1. Anal Biochem. 2000 Jul 15;283(1):49-55. [PubMed:10929807]
- Lu R, Chan BS, Schuster VL: Cloning of the human kidney PAH transporter: narrow substrate specificity and regulation by protein kinase C. Am J Physiol. 1999 Feb;276(2 Pt 2):F295-303. [PubMed:9950961]
- Uwai Y, Okuda M, Takami K, Hashimoto Y, Inui K: Functional characterization of the rat multispecific organic anion transporter OAT1 mediating basolateral uptake of anionic drugs in the kidney. FEBS Lett. 1998 Nov 6;438(3):321-4. [PubMed:9827570]
- Aslamkhan A, Han YH, Walden R, Sweet DH, Pritchard JB: Stoichiometry of organic anion/dicarboxylate exchange in membrane vesicles from rat renal cortex and hOAT1-expressing cells. Am J Physiol Renal Physiol. 2003 Oct;285(4):F775-83. Epub 2003 Jul 1. [PubMed:12837685]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- SubstrateInhibitor
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Plays an important role in the excretion/detoxification of endogenous and exogenous organic anions, especially from the brain and kidney. Involved in the transport basolateral of steviol, fexofenad...
- Gene Name
- SLC22A8
- Uniprot ID
- Q8TCC7
- Uniprot Name
- Solute carrier family 22 member 8
- Molecular Weight
- 59855.585 Da
References
- Cha SH, Sekine T, Fukushima JI, Kanai Y, Kobayashi Y, Goya T, Endou H: Identification and characterization of human organic anion transporter 3 expressing predominantly in the kidney. Mol Pharmacol. 2001 May;59(5):1277-86. [PubMed:11306713]
- Bakhiya A, Bahn A, Burckhardt G, Wolff N: Human organic anion transporter 3 (hOAT3) can operate as an exchanger and mediate secretory urate flux. Cell Physiol Biochem. 2003;13(5):249-56. [PubMed:14586168]
- Ohtsuki S, Kikkawa T, Mori S, Hori S, Takanaga H, Otagiri M, Terasaki T: Mouse reduced in osteosclerosis transporter functions as an organic anion transporter 3 and is localized at abluminal membrane of blood-brain barrier. J Pharmacol Exp Ther. 2004 Jun;309(3):1273-81. Epub 2004 Feb 4. [PubMed:14762099]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Mediates saturable uptake of estrone sulfate, dehydroepiandrosterone sulfate and related compounds.
- Gene Name
- SLC22A11
- Uniprot ID
- Q9NSA0
- Uniprot Name
- Solute carrier family 22 member 11
- Molecular Weight
- 59970.945 Da
References
- Cha SH, Sekine T, Kusuhara H, Yu E, Kim JY, Kim DK, Sugiyama Y, Kanai Y, Endou H: Molecular cloning and characterization of multispecific organic anion transporter 4 expressed in the placenta. J Biol Chem. 2000 Feb 11;275(6):4507-12. [PubMed:10660625]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Mediates sodium-independent multispecific organic anion transport. Transport of prostaglandin E2, prostaglandin F2, tetracycline, bumetanide, estrone sulfate, glutarate, dehydroepiandrosterone sulf...
- Gene Name
- SLC22A7
- Uniprot ID
- Q9Y694
- Uniprot Name
- Solute carrier family 22 member 7
- Molecular Weight
- 60025.025 Da
References
- Kobayashi Y, Ohshiro N, Shibusawa A, Sasaki T, Tokuyama S, Sekine T, Endou H, Yamamoto T: Isolation, characterization and differential gene expression of multispecific organic anion transporter 2 in mice. Mol Pharmacol. 2002 Jul;62(1):7-14. [PubMed:12065749]
Drug created on June 13, 2005 13:24 / Updated on June 12, 2020 16:52