NAV

Opelconazole

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

Identification

Generic Name
Opelconazole
DrugBank Accession Number
DB18251
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 682.748
Monoisotopic: 682.287923564
Chemical Formula
C38H37F3N6O3
Synonyms
  • D-threo-pentitol, 2,5-anhydro-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-4-((4-(4-(4-(((4-fluorophenyl)amino)carbonyl)phenyl)-1-piperazinyl)-2-methylphenoxy)methyl)-1-(1h-1,2,4-triazol-1-yl)-
  • Opelconazole(inn)
External IDs
  • PC-945
  • PC945
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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
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
45LU8Q6ASU
CAS number
1931946-73-4
InChI Key
OSAMZQJKSCAOHA-CWRQMEKBSA-N
InChI
InChI=1S/C38H37F3N6O3/c1-26-18-33(46-16-14-45(15-17-46)32-9-2-28(3-10-32)37(48)44-31-7-4-29(39)5-8-31)11-13-36(26)49-21-27-20-38(50-22-27,23-47-25-42-24-43-47)34-12-6-30(40)19-35(34)41/h2-13,18-19,24-25,27H,14-17,20-23H2,1H3,(H,44,48)/t27-,38-/m1/s1
IUPAC Name
4-[4-(4-{[(3R,5R)-5-(2,4-difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-yl]methoxy}-3-methylphenyl)piperazin-1-yl]-N-(4-fluorophenyl)benzamide
SMILES
CC1=CC(=CC=C1OC[C@@H]1CO[C@](CN2C=NC=N2)(C1)C1=CC=C(F)C=C1F)N1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
103748875
ChEMBL
CHEMBL4650362

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentRefractory IPA1
2CompletedPreventionPulmonary Aspergillosis1
2TerminatedTreatmentAspergillosis / Cystic Fibrosis (CF)1
2TerminatedTreatmentAspergillosis / Lung Transplant Infection1
2TerminatedTreatmentAsthma / Bronchiectasis / Chronic Obstructive Pulmonary Disease (COPD) / Respiratory Aspergillosis / Respiratory Candidiasis1

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
logP6.97Chemaxon
pKa (Strongest Acidic)15.97Chemaxon
pKa (Strongest Basic)3.99Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.75 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity199.65 m3·mol-1Chemaxon
Polarizability71.95 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2023 14:44 / Updated at September 17, 2023 04:15