Amtolmetin guacil
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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
- Amtolmetin guacil
- DrugBank Accession Number
- DB16088
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 314.341
Monoisotopic: 314.126657068 - Chemical Formula
- C17H18N2O4
- Synonyms
- Amtolmetin
- Tolmetin glycine amide
- External IDs
- MCN 4366
- MCN-4366
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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3RS348SV6U
- CAS number
- 87344-05-6
- InChI Key
- IYNXNYQOVKPFMM-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H18N2O4/c1-11-3-5-12(6-4-11)17(23)14-8-7-13(19(14)2)9-15(20)18-10-16(21)22/h3-8H,9-10H2,1-2H3,(H,18,20)(H,21,22)
- IUPAC Name
- 2-{2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetamido}acetic acid
- SMILES
- CN1C(CC(=O)NCC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 119696
- ZINC
- ZINC000006070817
- Wikipedia
- Amtolmetin_guacil
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count Not Available Completed Not Available Osteoarthritis of the Knee 1
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 0.0839 mg/mL ALOGPS logP 1.91 ALOGPS logP 1.62 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 3.48 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 88.4 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 85.2 m3·mol-1 Chemaxon Polarizability 32.98 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00kf-0191000000-ef576e88e595aac8eaab Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0wtc-3190000000-934d4c3945151f7eea51 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-2960000000-6c73e4284bf52012b14a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-006x-6690000000-45516afb06084af80a0e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-02ml-5960000000-cc68a9e768d9ac3d84e1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-014l-6911000000-91e3665c8ef66c80809a 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]- 192.6817525 predictedDarkChem Lite v0.1.0 [M+H]+ 191.4749525 predictedDarkChem Lite v0.1.0 [M+Na]+ 190.1444525 predictedDarkChem Lite v0.1.0
Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36