Aminomethylbenzoic acid
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Aminomethylbenzoic acid
- DrugBank Accession Number
- DB13244
- Background
Aminomethylbenzoic acid may be useful as an antifibrinolytic agent 1.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 151.1626
Monoisotopic: 151.063328537 - Chemical Formula
- C8H9NO2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- 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. 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAlbutrepenonacog alfa Aminomethylbenzoic acid may increase the thrombogenic activities of Albutrepenonacog alfa. Alpha-1-proteinase inhibitor Alpha-1-proteinase inhibitor may increase the thrombogenic activities of Aminomethylbenzoic acid. Alteplase The therapeutic efficacy of Aminomethylbenzoic acid can be decreased when used in combination with Alteplase. Aminocaproic acid Aminocaproic acid may increase the thrombogenic activities of Aminomethylbenzoic acid. Andexanet alfa Aminomethylbenzoic acid may increase the thrombogenic activities of Andexanet alfa. - Food Interactions
- Not Available
Categories
- ATC Codes
- B02AA03 — Aminomethylbenzoic acid
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- Benzoic acids
- Alternative Parents
- Phenylmethylamines / Benzylamines / Benzoyl derivatives / Aralkylamines / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organooxygen compounds / Organic oxides show 2 more
- Substituents
- Amine / Amino acid / Amino acid or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Benzoic acid / Benzoyl / Benzylamine / Carboxylic acid / Carboxylic acid derivative show 11 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 68WG9JKC7L
- CAS number
- 56-91-7
- InChI Key
- QCTBMLYLENLHLA-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
- IUPAC Name
- 4-(aminomethyl)benzoic acid
- SMILES
- NCC1=CC=C(C=C1)C(O)=O
References
- General References
- Heidrich R, Markwardt F, Endler S, Hindersin P: Antifibrinolytic therapy of subarachnoid hemorrhage by intrathecal administration of p-aminomethylbenzoic acid. J Neurol. 1978 Sep 12;219(1):83-5. [Article]
- External Links
- ChemSpider
- 58971
- BindingDB
- 50408790
- 14852
- ChEBI
- 134774
- ChEMBL
- CHEMBL328875
- ZINC
- ZINC000012359009
- PDBe Ligand
- 4AZ
- Wikipedia
- Aminomethylbenzoic_acid
- PDB Entries
- 3kgp
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.65 mg/mL ALOGPS logP -2 ALOGPS logP -1.5 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 3.87 Chemaxon pKa (Strongest Basic) 9.32 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 41.79 m3·mol-1 Chemaxon Polarizability 15.53 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
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0kai-3900000000-872e3e1d32767d397b8d Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014l-6900000000-b412d350299532e99194 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000x-8900000000-53fe12f11fe9556a3d8f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0900000000-d3bcea3720ce49ba58b3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fr6-9500000000-87601287007ac7731a6f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9400000000-61a3d85247dcf3d3cf2a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-056r-9400000000-7ddbee76db64741a4cb2 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 135.4715896 predictedDarkChem Lite v0.1.0 [M-H]- 125.82599 predictedDeepCCS 1.0 (2019) [M+H]+ 136.3143896 predictedDarkChem Lite v0.1.0 [M+H]+ 129.61961 predictedDeepCCS 1.0 (2019) [M+Na]+ 135.4441896 predictedDarkChem Lite v0.1.0 [M+Na]+ 138.31905 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53