Tolimidone

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

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
ChemSpider
35751
BindingDB
50545405
ChEMBL
CHEMBL8030
ZINC
ZINC000017120697
Wikipedia
Tolimidone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentType 2 Diabetes Mellitus1
2Unknown StatusTreatmentType 2 Diabetes Mellitus1

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
PropertyValueSource
Water Solubility0.464 mg/mLALOGPS
logP1.71ALOGPS
logP1.42Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9.55Chemaxon
pKa (Strongest Basic)-0.69Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area50.69 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity56.35 m3·mol-1Chemaxon
Polarizability20.11 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-63f53e2588400d2788ed
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0980000000-84531195f84c57768e76
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-4290000000-84784c70fbb4df193699
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ac3-4910000000-3837f562474a2f73faf4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00l6-9400000000-1d6c64989e90683e6a66
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2900000000-be0839dbf6108ef6a974
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-154.0677486
predicted
DarkChem Lite v0.1.0
[M+H]+154.3816486
predicted
DarkChem Lite v0.1.0
[M+Na]+154.1012486
predicted
DarkChem Lite v0.1.0

Drug created at July 18, 2022 20:04 / Updated at December 01, 2022 11:31