NAV

Rovazolac

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

Identification

Generic Name
Rovazolac
DrugBank Accession Number
DB16320
Background

Rovazolac is under investigation in clinical trial NCT03175354 (A Study in Subjects With Moderate Atopic Dermatitis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 452.45
Monoisotopic: 452.101762763
Chemical Formula
C21H19F3N2O4S
Synonyms
  • Rovazolac
External IDs
  • ALX-101
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
W51K389XIL
CAS number
1454288-88-0
InChI Key
ZUMNJDGBYXHASJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3
IUPAC Name
ethyl 2-(5-{3'-methanesulfonyl-[1,1'-biphenyl]-4-yl}-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
SMILES
CCOC(=O)CN1N=C(C=C1C1=CC=C(C=C1)C1=CC(=CC=C1)S(C)(=O)=O)C(F)(F)F

References

General References
Not Available
ChemSpider
59718525
ChEMBL
CHEMBL4297218

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAtopic Dermatitis1
2Unknown StatusTreatmentAtopic Dermatitis1

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 Solubility0.00147 mg/mLALOGPS
logP4.32ALOGPS
logP3.7Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)16.19Chemaxon
pKa (Strongest Basic)0.31Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area78.26 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity120.32 m3·mol-1Chemaxon
Polarizability43.2 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0pb9-0001900000-60f35bd658bf3930ebe5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000400000-b5c10d29d3c50ac415e3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00or-9005100000-6c45d4cc62b8a1d5995c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-0009300000-f9477206c34a844dd50e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fb9-0009100000-2aa1554952acd9563060
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ou-6129200000-8fc054648cf09f08dc4b
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 20:02 / Updated at February 21, 2021 18:55