AG-24322

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
AG-24322
DrugBank Accession Number
DB13035
Background

AG-024322 has been used in trials studying the treatment of Neoplasms and Lymphoma, Non-Hodgkin.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 418.452
Monoisotopic: 418.171750994
Chemical Formula
C23H20F2N6
Synonyms
Not Available
External IDs
  • AG-024322

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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 benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzimidazoles
Sub Class
Not Available
Direct Parent
Benzimidazoles
Alternative Parents
Indazoles / Methylpyridines / Aralkylamines / Benzenoids / Aryl fluorides / Pyrazoles / Imidazoles / Heteroaromatic compounds / Dialkylamines / Azacyclic compounds
show 3 more
Substituents
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid / Benzimidazole / Benzopyrazole
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
926F8X7TNO
CAS number
837364-57-5
InChI Key
MEKASOQEXYKAKM-UHFFFAOYSA-N
InChI
InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)
IUPAC Name
({5-[3-(4,6-difluoro-1H-1,3-benzodiazol-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-yl}methyl)(ethyl)amine
SMILES
CCNCC1=CN=CC(=C1C)C1=CC=C2NN=C(C3=NC4=C(F)C=C(F)C=C4N3)C2=C1

References

General References
Not Available
PubChem Compound
6918834
PubChem Substance
347829168
ChemSpider
11253366
ZINC
ZINC000006718881

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentNeoplasm / Non-Hodgkin's Lymphoma (NHL)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
PropertyValueSource
Water Solubility0.00401 mg/mLALOGPS
logP3.66ALOGPS
logP3.63Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)9.69Chemaxon
pKa (Strongest Basic)9.03Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area82.28 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity126.16 m3·mol-1Chemaxon
Polarizability43.46 Å3Chemaxon
Number of Rings5Chemaxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 21, 2016 02:16 / Updated at June 12, 2020 16:53