Rovazolac
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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
- Weight
- Average: 452.45
Monoisotopic: 452.101762763 - Chemical Formula
- C21H19F3N2O4S
- Synonyms
- Rovazolac
- External IDs
- ALX-101
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 59718525
- ChEMBL
- CHEMBL4297218
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Atopic Dermatitis 1 2 Unknown Status Treatment Atopic Dermatitis 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
Property Value Source Water Solubility 0.00147 mg/mL ALOGPS logP 4.32 ALOGPS logP 3.7 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 16.19 Chemaxon pKa (Strongest Basic) 0.31 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 78.26 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 120.32 m3·mol-1 Chemaxon Polarizability 43.2 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0pb9-0001900000-60f35bd658bf3930ebe5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000400000-b5c10d29d3c50ac415e3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00or-9005100000-6c45d4cc62b8a1d5995c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-056r-0009300000-f9477206c34a844dd50e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fb9-0009100000-2aa1554952acd9563060 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00ou-6129200000-8fc054648cf09f08dc4b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 20:02 / Updated at February 21, 2021 18:55