Identification
- Summary
N-Acetyl-L-Glutamate is a glutamate derivate used to prevent allergic conjunctivitis.
- Generic Name
- N-Acetyl-L-Glutamate
- DrugBank Accession Number
- DB04075
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for N-Acetyl-L-Glutamate (DB04075)
- Weight
- Average: 189.1659
Monoisotopic: 189.063722467 - Chemical Formula
- C7H11NO5
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Contraindications & Blackbox Warnings
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Not Available
- Mechanism of action
Target Actions Organism UAcetylglutamate kinase Not Available Escherichia coli (strain K12) UAcetylglutamate kinase Not Available Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) - 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
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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.Not Available
- Food Interactions
- Not Available
Products
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Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Glutamic acid and derivatives
- Alternative Parents
- N-acyl-alpha amino acids / Fatty acids and conjugates / Dicarboxylic acids and derivatives / Propargyl-type 1,3-dipolar organic compounds / Carboxylic acids / Carboximidic acids / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboximidic acid / Carboximidic acid derivative / Carboxylic acid / Dicarboxylic acid or derivatives / Fatty acid / Glutamic acid or derivatives / Hydrocarbon derivative / N-acyl-alpha amino acid or derivatives show 9 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- N-acetyl-L-amino acid, N-acyl-L-glutamic acid (CHEBI:17533)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MA61H539YZ
- CAS number
- 1188-37-0
- InChI Key
- RFMMMVDNIPUKGG-YFKPBYRVSA-N
- InChI
- InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
- IUPAC Name
- (2S)-2-acetamidopentanedioic acid
- SMILES
- CC(=O)N[C@@H](CCC(O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C00624
- PubChem Compound
- 70914
- PubChem Substance
- 46507366
- ChemSpider
- 64077
- BindingDB
- 50151383
- ChEBI
- 17533
- ChEMBL
- CHEMBL1234751
- ZINC
- ZINC000001532704
- PDBe Ligand
- NLG
- PDB Entries
- 1gs5 / 1gsj / 1oh9 / 1oha / 2bty / 2buf / 2jj4 / 2rd5 / 2v5h / 3b8g … show 12 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Solution Ophthalmic 0.049 g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 199 °C PhysProp - Predicted Properties
Property Value Source Water Solubility 18.6 mg/mL ALOGPS logP -0.67 ALOGPS logP -1.1 Chemaxon logS -1 ALOGPS pKa (Strongest Acidic) 3.43 Chemaxon pKa (Strongest Basic) -1.8 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 103.7 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 40.73 m3·mol-1 Chemaxon Polarizability 17.44 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 - 0.6519 Blood Brain Barrier + 0.9482 Caco-2 permeable - 0.859 P-glycoprotein substrate Non-substrate 0.6774 P-glycoprotein inhibitor I Non-inhibitor 0.959 P-glycoprotein inhibitor II Non-inhibitor 0.9721 Renal organic cation transporter Non-inhibitor 0.9592 CYP450 2C9 substrate Non-substrate 0.7566 CYP450 2D6 substrate Non-substrate 0.8581 CYP450 3A4 substrate Non-substrate 0.6074 CYP450 1A2 substrate Non-inhibitor 0.8971 CYP450 2C9 inhibitor Non-inhibitor 0.9623 CYP450 2D6 inhibitor Non-inhibitor 0.9684 CYP450 2C19 inhibitor Non-inhibitor 0.9696 CYP450 3A4 inhibitor Non-inhibitor 0.967 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9887 Ames test Non AMES toxic 0.8822 Carcinogenicity Non-carcinogens 0.942 Biodegradation Ready biodegradable 0.9179 Rat acute toxicity 1.4388 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9878 hERG inhibition (predictor II) Non-inhibitor 0.9761
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Atp binding
- Specific Function
- Not Available
- Gene Name
- argB
- Uniprot ID
- P0A6C8
- Uniprot Name
- Acetylglutamate kinase
- Molecular Weight
- 27159.285 Da
References
- Kind
- Protein
- Organism
- Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
- Pharmacological action
- Unknown
- General Function
- Atp binding
- Specific Function
- Not Available
- Gene Name
- argB
- Uniprot ID
- Q9HTN2
- Uniprot Name
- Acetylglutamate kinase
- Molecular Weight
- 31848.87 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 08, 2021 11:32