Ravuconazole

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

Identification

Generic Name
Ravuconazole
DrugBank Accession Number
DB06440
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 437.47
Monoisotopic: 437.112187687
Chemical Formula
C22H17F2N5OS
Synonyms
  • Ravuconazole
External IDs
  • BMS-207147
  • ER-30346

Pharmacology

Indication

Investigated for use/treatment in fungal infections, aspergillosis, candidiasis, and onychomycosis.

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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.
DrugInteraction
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Ravuconazole.
AlmasilateAlmasilate can cause a decrease in the absorption of Ravuconazole resulting in a reduced serum concentration and potentially a decrease in efficacy.
Aluminium phosphateAluminium phosphate can cause a decrease in the absorption of Ravuconazole resulting in a reduced serum concentration and potentially a decrease in efficacy.
Aluminum hydroxideAluminum hydroxide can cause a decrease in the absorption of Ravuconazole resulting in a reduced serum concentration and potentially a decrease in efficacy.
AmiodaroneThe therapeutic efficacy of Ravuconazole can be increased when used in combination with Amiodarone.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylpropanes
Direct Parent
Phenylpropanes
Alternative Parents
Benzonitriles / Fluorobenzenes / 2,4-disubstituted thiazoles / Aryl fluorides / Triazoles / Tertiary alcohols / Heteroaromatic compounds / Nitriles / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
1,2,4-triazole / 2,4-disubstituted 1,3-thiazole / Alcohol / Aromatic alcohol / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzonitrile
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
95YH599JWV
CAS number
182760-06-1
InChI Key
OPAHEYNNJWPQPX-RCDICMHDSA-N
InChI
InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
IUPAC Name
4-{2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
SMILES
C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F

References

General References
Not Available
KEGG Drug
D02556
PubChem Compound
467825
PubChem Substance
347827771
ChemSpider
411041
BindingDB
50011476
ChEBI
143825
ChEMBL
CHEMBL294029
ZINC
ZINC000000600547
Wikipedia
Ravuconazole

Clinical Trials

Clinical Trials

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0158 mg/mLALOGPS
logP3.48ALOGPS
logP4.14Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)12.68Chemaxon
pKa (Strongest Basic)2.46Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area87.62 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity123.94 m3·mol-1Chemaxon
Polarizability43.07 Å3Chemaxon
Number of Rings4Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-03fu-7982000000-cb6150c67e58f96238db
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-81033301bdb7f914e8a9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0435900000-73a07cf37bfaddec310b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-9006700000-5b140380bdddbde39fa3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0k9i-3896600000-cba4e682dd683a43b325
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9201300000-f472bb5b44a56f310c7b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bt9-2900000000-e2e556628f9c15dd4549
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]-188.86786
predicted
DeepCCS 1.0 (2019)
[M+H]+191.26343
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.17595
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:33 / Updated at February 21, 2021 18:52