Identification
- Generic Name
- Anthranilic acid
- DrugBank Accession Number
- DB04166
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Anthranilic acid (DB04166)
- Weight
- Average: 137.136
Monoisotopic: 137.047678473 - Chemical Formula
- C7H7NO2
- Synonyms
- 2-Aminobenzoesäure
- 2-aminobenzoic acid
- 2-carboxyaniline
- o-Aminobenzoesäure
- o-Aminobenzoic acid
- o-carboxyaniline
- Vitamin L1
- External IDs
- NCI-C01730
- NSC-144
- NSC-3937
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UL-amino-acid oxidase Not Available Humans UD-amino-acid oxidase Not Available Humans - 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. View sample adverse effects data in our new Data Library!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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- Aminobenzoic acids
- Alternative Parents
- Benzoic acids / Benzoyl derivatives / Aniline and substituted anilines / Vinylogous amides / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Primary amines / Organopnictogen compounds / Organooxygen compounds show 2 more
- Substituents
- Amine / Amino acid / Amino acid or derivatives / Aminobenzoic acid / Aniline or substituted anilines / Aromatic homomonocyclic compound / Benzoic acid / Benzoyl / Carboxylic acid / Carboxylic acid derivative show 10 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- aminobenzoic acid (CHEBI:30754)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0YS975XI6W
- CAS number
- 118-92-3
- InChI Key
- RWZYAGGXGHYGMB-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
- IUPAC Name
- 2-aminobenzoic acid
- SMILES
- NC1=CC=CC=C1C(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001123
- KEGG Compound
- C00108
- PubChem Compound
- 227
- PubChem Substance
- 46504575
- ChemSpider
- 222
- BindingDB
- 50376751
- ChEBI
- 30754
- ChEMBL
- CHEMBL14173
- ZINC
- ZINC000000047985
- PharmGKB
- PA10247
- PDBe Ligand
- BE2
- Wikipedia
- Anthranilic_acid
- PDB Entries
- 1an9 / 1c0i / 1e8n / 1f8s / 1zfp / 1zyk / 2e4a / 2gvq / 2hu8 / 2jb3 … show 16 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Withdrawn Treatment Rheumatoid Arthritis 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 6.81 mg/mL ALOGPS logP 0.78 ALOGPS logP 1.45 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 4.89 Chemaxon pKa (Strongest Basic) 1.95 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 38.01 m3·mol-1 Chemaxon Polarizability 13.29 Å3 Chemaxon Number of Rings 1 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 125.830612 predictedDarkChem Lite v0.1.0 [M-H]- 130.370336 predictedDarkChem Standard v0.1.0 [M-H]- 125.666712 predictedDarkChem Lite v0.1.0 [M-H]- 123.54621 predictedDeepCCS 1.0 (2019) [M+H]+ 126.629612 predictedDarkChem Lite v0.1.0 [M+H]+ 126.553712 predictedDarkChem Lite v0.1.0 [M+H]+ 126.605612 predictedDarkChem Lite v0.1.0 [M+H]+ 127.13655 predictedDeepCCS 1.0 (2019) [M+Na]+ 125.675412 predictedDarkChem Lite v0.1.0 [M+Na]+ 125.920312 predictedDarkChem Lite v0.1.0 [M+Na]+ 126.033312 predictedDarkChem Lite v0.1.0 [M+Na]+ 135.69954 predictedDeepCCS 1.0 (2019)
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- L-amino-acid oxidase activity
- Specific Function
- Lysosomal L-amino-acid oxidase with highest specific activity with phenylalanine. May play a role in lysosomal antigen processing and presentation (By similarity).
- Gene Name
- IL4I1
- Uniprot ID
- Q96RQ9
- Uniprot Name
- L-amino-acid oxidase
- Molecular Weight
- 62880.52 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. [Article]
- 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. [Article]
- 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. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Receptor binding
- Specific Function
- Regulates the level of the neuromodulator D-serine in the brain. Has high activity towards D-DOPA and contributes to dopamine synthesis. Could act as a detoxifying agent which removes D-amino acids...
- Gene Name
- DAO
- Uniprot ID
- P14920
- Uniprot Name
- D-amino-acid oxidase
- Molecular Weight
- 39473.75 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. [Article]
- 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. [Article]
- 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. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52