NAV

Revamilast

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

Identification

Generic Name
Revamilast
DrugBank Accession Number
DB11838
Background

Revamilast has been used in trials studying the treatment of Asthma and Rheumatoid Arthritis.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 440.18
Monoisotopic: 438.9938175
Chemical Formula
C18H9Cl2F2N3O4
Synonyms
  • Revamilast
  • Révamilast
  • Revamilastum
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzofurans
Sub Class
Not Available
Direct Parent
Benzofurans
Alternative Parents
Furo[3,2-c]pyridines / Polyhalopyridines / Pyridinium derivatives / Aryl chlorides / Benzenoids / Furans / Heteroaromatic compounds / Secondary carboxylic acid amides / Oxacyclic compounds / Azacyclic compounds
show 8 more
Substituents
Alkyl fluoride / Alkyl halide / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Benzofuran / Carboxamide group / Carboxylic acid derivative
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
30LE65637T
CAS number
893555-90-3
InChI Key
IXQHNBONEVULTL-UHFFFAOYSA-N
InChI
InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18H,(H,24,26)
IUPAC Name
3,5-dichloro-4-[10-(difluoromethoxy)-8-oxa-4-azatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene-13-amido]pyridin-1-ium-1-olate
SMILES
[O-][N+]1=CC(Cl)=C(NC(=O)C2=CC=C(OC(F)F)C3=C2C2=CN=CC=C2O3)C(Cl)=C1

References

General References
Not Available
PubChem Compound
11546664
PubChem Substance
347828183
ChemSpider
28290127

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsthma1
2CompletedTreatmentRheumatoid Arthritis1

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 Solubility0.0209 mg/mLALOGPS
logP3.78ALOGPS
logP2.52Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)12.9Chemaxon
pKa (Strongest Basic)4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area91.3 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity101.84 m3·mol-1Chemaxon
Polarizability38.16 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0ika-9660100000-4afb40a1191fc674824b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-191.32413
predicted
DeepCCS 1.0 (2019)
[M+H]+193.70268
predicted
DeepCCS 1.0 (2019)
[M+Na]+199.77528
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:52 / Updated at February 21, 2021 18:53