NAV

Ladarixin

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

Identification

Generic Name
Ladarixin
DrugBank Accession Number
DB16212
Background

Ladarixin is under investigation in clinical trial NCT04628481 (A Study of Oral Ladarixin in New-onset Type 1 Diabetes and a Low Residual Β-Cell Function).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 375.33
Monoisotopic: 375.005813947
Chemical Formula
C11H12F3NO6S2
Synonyms
  • Ladarixin
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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
DEH7Q6472O
CAS number
849776-05-2
InChI Key
DDLPYOCJHQSVSZ-SSDOTTSWSA-N
InChI
InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
IUPAC Name
4-[(1R)-1-(methanesulfonylcarbamoyl)ethyl]phenyl trifluoromethanesulfonate
SMILES
C[C@@H](C(=O)NS(C)(=O)=O)C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1

References

General References
Not Available
ChemSpider
9547187
BindingDB
50475370
ChEMBL
CHEMBL189475

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentNew Onset Type 1 Diabetes Mellitus1
2CompletedTreatmentDiabetes Mellitus, Insulin Dependent1
2TerminatedTreatmentNew Onset Type 1 Diabetes Mellitus1
2TerminatedTreatmentType 1 Diabetes Mellitus1
2WithdrawnTreatmentAdvanced Non-small Cell Lung Cancer With KRAS G12C Mutation1

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 Solubility0.121 mg/mLALOGPS
logP2.51ALOGPS
logP2.04Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area106.61 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity72.11 m3·mol-1Chemaxon
Polarizability30.84 Å3Chemaxon
Number of Rings1Chemaxon
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/MSsplash10-0fb9-0069000000-0b2496a3c14fba901bde
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fk9-1009000000-acc01e3a031d0390d29a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gc0-0490000000-14a132bb8b27d59f5c76
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-003r-9881000000-08bc12764923b0ff9c33
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0390000000-4e71ca6bb252a10bafe0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-3910000000-86263ce0ad80cb170ae8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:15 / Updated at February 21, 2021 18:55