Ravuconazole
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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
- 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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- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The therapeutic efficacy of Acenocoumarol can be increased when used in combination with Ravuconazole. Almasilate Almasilate can cause a decrease in the absorption of Ravuconazole resulting in a reduced serum concentration and potentially a decrease in efficacy. Aluminium phosphate Aluminium phosphate can cause a decrease in the absorption of Ravuconazole resulting in a reduced serum concentration and potentially a decrease in efficacy. Aluminum hydroxide Aluminum hydroxide can cause a decrease in the absorption of Ravuconazole resulting in a reduced serum concentration and potentially a decrease in efficacy. Amiodarone The 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
- External Links
- 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
Phase Status Purpose Conditions Count 2 Unknown Status Treatment Chagas Disease 1 2 Unknown Status Treatment Chronic Chagas Disease, Indeterminate 1 1 Completed Treatment Chagas Disease 1 1, 2 Completed Supportive Care Breast Cancer / Chronic Myeloproliferative Disorders / Gestational Trophoblastic Neoplasia / Infection / Leukemias / Lymphoma / Multiple Myeloma and Plasma Cell Neoplasm / Myelodysplastic Syndrome / Myeloproliferative/Myelodysplastic Neoplasm / Neuroblastoma (NB) / Ovarian Cancer / Testicular Germ Cell Tumors 1
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
Property Value Source Water Solubility 0.0158 mg/mL ALOGPS logP 3.48 ALOGPS logP 4.14 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 12.68 Chemaxon pKa (Strongest Basic) 2.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 87.62 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 123.94 m3·mol-1 Chemaxon Polarizability 43.07 Å3 Chemaxon Number of Rings 4 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-03fu-7982000000-cb6150c67e58f96238db Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0000900000-81033301bdb7f914e8a9 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0435900000-73a07cf37bfaddec310b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-9006700000-5b140380bdddbde39fa3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0k9i-3896600000-cba4e682dd683a43b325 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-9201300000-f472bb5b44a56f310c7b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-2900000000-e2e556628f9c15dd4549 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 188.86786 predictedDeepCCS 1.0 (2019) [M+H]+ 191.26343 predictedDeepCCS 1.0 (2019) [M+Na]+ 197.17595 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:33 / Updated at February 21, 2021 18:52