This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Theanine
- DrugBank Accession Number
- DB12444
- Background
Theanine, a precursor of ethylamine, is found in green tea. It is under investigation in clinical trial NCT00291070 (Effects of L-Theanine in Boys With ADHD).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Theanine (DB12444)
- Weight
- Average: 174.1977
Monoisotopic: 174.100442324 - Chemical Formula
- C7H14N2O3
- Synonyms
- L-theanine
- N-ethyl-L-glutamine
- N(5)-ethyl-L-glutamine
- N5-ethyl-L-glutamine
- Suntheanine
- Theanin
- External IDs
- NSC-21308
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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
- Glutamine and derivatives
- Alternative Parents
- L-alpha-amino acids / N-acyl amines / Fatty acids and conjugates / Secondary carboxylic acid amides / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines show 2 more
- Substituents
- Aliphatic acyclic compound / Alpha-amino acid / Amine / Amino acid / Carbonyl group / Carboxamide group / Carboxylic acid / Fatty acid / Fatty acyl / Fatty amide show 14 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- N(5)-alkyl-L-glutamine (CHEBI:17394)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8021PR16QO
- CAS number
- 3081-61-6
- InChI Key
- DATAGRPVKZEWHA-YFKPBYRVSA-N
- InChI
- InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
- IUPAC Name
- (2S)-2-amino-4-(ethylcarbamoyl)butanoic acid
- SMILES
- CCNC(=O)CC[C@H](N)C(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0034365
- KEGG Compound
- C01047
- PubChem Compound
- 439378
- PubChem Substance
- 347828685
- ChemSpider
- 388498
- 38022
- ChEBI
- 58128
- ChEMBL
- CHEMBL3039113
- ZINC
- ZINC000001532828
- PDBe Ligand
- 85G
- Wikipedia
- Theanine
- PDB Entries
- 5u66
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Terminated Device Feasibility Cognitive Performance 1 2 Completed Treatment Attention Deficit Hyperactivity Disorder (ADHD) 1 0 Completed Other Cortical Excitability / Psychiatric Disorders 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 48.3 mg/mL ALOGPS logP -2.6 ALOGPS logP -3.4 Chemaxon logS -0.56 ALOGPS pKa (Strongest Acidic) 2.35 Chemaxon pKa (Strongest Basic) 9.31 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 92.42 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 42.76 m3·mol-1 Chemaxon Polarizability 17.85 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Drug created at October 20, 2016 22:25 / Updated at June 12, 2020 16:53