Isavuconazole

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

Identification

Name
Isavuconazole
Accession Number
DB11633
Type
Small Molecule
Groups
Approved, Investigational
Description

Isavuconazole is an ingredient in the EMA-authorised product Cresemba.

Structure
Thumb
Synonyms
  • isavuconazol
  • isavuconazole
  • isavuconazolum
External IDs
BAL-4815
Categories
UNII
60UTO373KE
CAS number
241479-67-4
Weight
Average: 437.47
Monoisotopic: 437.112187687
Chemical Formula
C22H17F2N5OS
InChI Key
DDFOUSQFMYRUQK-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)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
IUPAC Name
4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
SMILES
[H][[email protected]](C)(C1=NC(=CS1)C1=CC=C(C=C1)C#N)[[email protected]](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1

Pharmacology

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Withdrawn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

References

General References
Not Available
External Links
ChemSpider
5293682
ChEBI
85979
ChEMBL
CHEMBL409153
ATC Codes
J02AC05 — Isavuconazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Adult Volunteers / Pharmacokinetics of Dextromethorphan / Pharmacokinetics of Isavuconazole1
1CompletedNot AvailableHealthy Adult Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Ketoconazole1
1CompletedNot AvailableHealthy Volunteers1
1CompletedNot AvailableHealthy Volunteers / Pharmacodynamics of Warfarin / Pharmacokinetics of Isavuconazole / Pharmacokinetics of S- and R-warfarin1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of 7-hydroxymethotrexate / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Methotrexate1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Atorvastatin / Pharmacokinetics of Isavuconazole1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of BAL4815 / Pharmacokinetics of BAL87281
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Bupropion / Pharmacokinetics of Isavuconazole1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Digoxin / Pharmacokinetics of Isavuconazole1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Ethinyl Estradiol and Norethindrone / Pharmacokinetics of Isavuconazole1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Lopinavir/Ritonavir1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Metformin1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Methadone1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Midazolam1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Plasma Mycophenolic Acid (MPA) / Pharmacokinetics of Plasma Phenolic Glucuronide of MPA (MPAG)1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Prednisolone1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Sirolimus1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Pharmacokinetics of Tacrolimus1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Renal Impaired1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Isavuconazole / Safety and Tolerability in Elderly1
1CompletedBasic ScienceHealthy Volunteers / Pharmacokinetics of Caffeine / Pharmacokinetics of Repaglinide1
1CompletedBasic ScienceHealthy Volunteers / Pharmacokinetics of Isavuconazole1
2RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML) / Myelodysplastic Syndrome1
2RecruitingTreatmentMalignancies, Hematologic / Myeloproliferative Disorders1
2, 3CompletedPreventionLeukemia Acute Myeloid Leukemia (AML)1
3CompletedTreatmentAspergillosis / Invasive Fungal Infections2
3CompletedTreatmentCandidemia / Candidiasis, Invasive / Mycoses1

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 Solubility0.0162 mg/mLALOGPS
logP3.46ALOGPS
logP4.14ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)12.61ChemAxon
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
Polarizability42.61 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
tertiary alcohol, triazole antifungal drug, conazole antifungal drug, 1,3-thiazole, nitrile, difluorobenzene (CHEBI:85979)

Drug created on October 17, 2016 15:27 / Updated on December 09, 2017 12:21