Ravuconazole

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

Identification

Name
Ravuconazole
Accession Number
DB06440
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
BMS-207147 / ER-30346
Categories
UNII
95YH599JWV
CAS number
182760-06-1
Weight
Average: 437.47
Monoisotopic: 437.112187687
Chemical Formula
C22H17F2N5OS
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[[email protected]@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[[email protected]](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F

Pharmacology

Indication

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

Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AtorvastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Atorvastatin.Approved
CerivastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Cerivastatin.Withdrawn
FluvastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Fluvastatin.Approved
LovastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Lovastatin.Approved, Investigational
MevastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Mevastatin.Experimental
PitavastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Pitavastatin.Approved
PravastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Pravastatin.Approved
RosuvastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Rosuvastatin.Approved
SimvastatinThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Simvastatin.Approved
UbidecarenoneThe risk or severity of adverse effects can be increased when Ravuconazole is combined with Ubidecarenone.Approved, Investigational, Nutraceutical
VemurafenibThe risk or severity of QTc prolongation can be increased when Vemurafenib is combined with Ravuconazole.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D02556
PubChem Compound
467825
PubChem Substance
347827771
ChemSpider
411041
BindingDB
50011476
ChEMBL
CHEMBL294029

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedSupportive CareCancer, Breast / Cancer, Ovarian / Chronic Myeloproliferative Disorders / Gestational Trophoblastic Disease / Infection NOS / Leukemias / Malignant Lymphomas / Multiple Myeloma and Plasma Cell Neoplasm / Myelodysplastic Syndromes / Myelodysplastic/Myeloproliferative Neoplasms / Neuroblastomas / Testicular germ cell tumour1

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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Phenylpropane / Benzonitrile / 2,4-disubstituted 1,3-thiazole / Fluorobenzene / Halobenzene / Aryl fluoride / Aryl halide / Azole / Heteroaromatic compound / 1,2,4-triazole
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:33 / Updated on December 01, 2017 15:39