NAV

Setanaxib

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

Identification

Generic Name
Setanaxib
DrugBank Accession Number
DB16869
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 394.86
Monoisotopic: 394.1196536
Chemical Formula
C21H19ClN4O2
Synonyms
  • 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-C]pyridine-3,6(2H,5H)-dione
  • Setanaxib
External IDs
  • GKT 831
  • GKT-137831
  • GKT-831
  • GKT831
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
45II35329V
CAS number
1218942-37-0
InChI Key
RGYQPQARIQKJKH-UHFFFAOYSA-N
InChI
InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3
IUPAC Name
2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILES
CN(C)C1=CC(=CC=C1)C1=C2C(NN(C2=O)C2=CC=CC=C2Cl)=CC(=O)N1C

References

General References
Not Available
Human Metabolome Database
HMDB0244466
ChemSpider
29785291
ChEMBL
CHEMBL4303187
ZINC
ZINC000095670835
Wikipedia
Setanaxib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentLiver Stiffness / Primary Biliary Cholangitis1
2Active Not RecruitingTreatmentSquamous Cell Carcinoma of the Head and Neck (SCCHN)1
2CompletedTreatmentPrimary Biliary Cholangitis1
2CompletedTreatmentType 2 Diabetes Mellitus With Diabetic Nephropathy1
2RecruitingTreatmentIdiopathic Pulmonary Fibrosis (IPF)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 Solubility0.0445 mg/mLALOGPS
logP2.87ALOGPS
logP2.07Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)5.57Chemaxon
pKa (Strongest Basic)4.42Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area55.89 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity122.8 m3·mol-1Chemaxon
Polarizability41.09 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-0002-0009000000-e7150b8aff44d725bacb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-1009000000-3f96eba7706b7fc206c8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-0236cd8af44ec789ee92
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9005000000-4cec5e57b72ff726fc9b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-0297000000-ac0ccb91e6c1bc7fb7d2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9048000000-4a00a76f1b7631c4209e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 26, 2022 18:27 / Updated at September 12, 2023 18:32