NAV

Telaglenastat

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

Identification

Generic Name
Telaglenastat
DrugBank Accession Number
DB15232
Background

Telaglenastat is under investigation in clinical trial NCT02071862 (Study of the Glutaminase Inhibitor CB-839 in Solid Tumors).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 571.58
Monoisotopic: 571.161343324
Chemical Formula
C26H24F3N7O3S
Synonyms
  • Telaglenastat
External IDs
  • CB-839
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Pharmacology

Indication

Not Available

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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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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 phenylacetamides. These are amide derivatives of phenylacetic acids.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylacetamides
Direct Parent
Phenylacetamides
Alternative Parents
Phenoxy compounds / Phenol ethers / N-arylamides / Pyridines and derivatives / Pyridazines and derivatives / Imidolactams / Thiadiazoles / Heteroaromatic compounds / Trihalomethanes / Secondary carboxylic acid amides
show 6 more
Substituents
Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Azacycle / Azole / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Halomethane / Heteroaromatic compound
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U6CL98GLP4
CAS number
1439399-58-2
InChI Key
PRAAPINBUWJLGA-UHFFFAOYSA-N
InChI
InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
IUPAC Name
N-[6-(4-{5-[2-(pyridin-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}butyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILES
FC(F)(F)OC1=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=NC=CC=C4)S3)C=C2)=CC=C1

References

General References
Not Available
ChemSpider
34959639
BindingDB
109086
ChEMBL
CHEMBL3639788
ZINC
ZINC000169698697

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentAdvanced Malignant Solid Tumor / Metastatic Malignant Solid Neoplasms / NF1 Mutation Positive Malignant Peripheral Nerve Sheath Tumor / Unresectable Malignant Solid Neoplasm1
2CompletedTreatmentAdvanced Renal Cell Carcinoma / Metastatic Renal Cell Carcinoma ( mRCC)1
2CompletedTreatmentClear Cell Renal Cell Carcinoma1
2CompletedTreatmentTriple-Negative Breast Cancer1
2Not Yet RecruitingTreatmentAdvanced Cervical Carcinoma / Cervical Cancer1

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 Solubility0.00151 mg/mLALOGPS
logP3.73ALOGPS
logP4.74Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)6.94Chemaxon
pKa (Strongest Basic)4.33Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area131.88 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity141.14 m3·mol-1Chemaxon
Polarizability55.53 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-00di-0000190000-187d39fa0c6684ca9b4e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fdo-4000490000-6074f96b1e9dfc3c27ad
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0241950000-387ae1130612387167ad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ffx-3202490000-43dd71ca99a4aee2b8c1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udl-0543490000-40252c21b90563a0683b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-2723930000-3709307a2dc6fcc902b5
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:02 / Updated at February 21, 2021 18:55