Tolimidone
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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
- Tolimidone
- DrugBank Accession Number
- DB16841
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 202.213
Monoisotopic: 202.07422757 - Chemical Formula
- C11H10N2O2
- Synonyms
- Tolimidone
- External IDs
- CP-26154
- MLR-1023
- NSC-314335
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MU3JD8E9IS
- CAS number
- 41964-07-2
- InChI Key
- HJQILFPVRNHTIG-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
- IUPAC Name
- 5-(3-methylphenoxy)-1,2-dihydropyrimidin-2-one
- SMILES
- CC1=CC=CC(OC2=CNC(=O)N=C2)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 35751
- BindingDB
- 50545405
- ChEMBL
- CHEMBL8030
- ZINC
- ZINC000017120697
- Wikipedia
- Tolimidone
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Type 2 Diabetes Mellitus 1 2 Unknown Status Treatment Type 2 Diabetes Mellitus 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 0.464 mg/mL ALOGPS logP 1.71 ALOGPS logP 1.42 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 9.55 Chemaxon pKa (Strongest Basic) -0.69 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 50.69 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 56.35 m3·mol-1 Chemaxon Polarizability 20.11 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 splash10-0udi-0090000000-63f53e2588400d2788ed Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0980000000-84531195f84c57768e76 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-4290000000-84784c70fbb4df193699 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ac3-4910000000-3837f562474a2f73faf4 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00l6-9400000000-1d6c64989e90683e6a66 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-2900000000-be0839dbf6108ef6a974 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]- 154.0677486 predictedDarkChem Lite v0.1.0 [M+H]+ 154.3816486 predictedDarkChem Lite v0.1.0 [M+Na]+ 154.1012486 predictedDarkChem Lite v0.1.0
Drug created at July 18, 2022 20:04 / Updated at December 01, 2022 11:31