NAV

Delpazolid

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

Identification

Generic Name
Delpazolid
DrugBank Accession Number
DB13077
Background

Delpazolid (LCB01-0371) is under investigation in clinical trial NCT01554995 (A Clinical Study, Randomized, Double-blind, Placebo-controlled, Single Dose Study).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 308.313
Monoisotopic: 308.128468586
Chemical Formula
C14H17FN4O3
Synonyms
  • (5R)-3-(3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one
  • (5R)-3-(3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
  • (R)-3-[3-Fluoro-4-(1-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-4-yl)phenyl]-5(R)-(hydroxymethyl)oxazolidin-2-one
  • 2-oxazolidinone, 3-(4-(5,6-dihydro-1-methyl-1,2,4-triazin-4(1H)-yl)-3-fluorophenyl)-5-(hydroxymethyl)-, (5R)-
External IDs
  • LCB-01-0371
  • LCB-010371
  • LCB01-0371
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AcenocoumarolThe risk or severity of bleeding can be increased when LCB01-0371 is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when LCB01-0371 is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when LCB01-0371 is combined with Articaine.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with LCB01-0371.
BenzocaineThe risk or severity of methemoglobinemia can be increased when LCB01-0371 is combined with Benzocaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Aniline and substituted anilines
Direct Parent
Aniline and substituted anilines
Alternative Parents
Fluorobenzenes / 1,2,4-triazines / Oxazolidinones / Aryl fluorides / Carbamate esters / Tertiary amines / Amidrazones / Oxacyclic compounds / Azacyclic compounds / Formamidines
show 6 more
Substituents
1,2,4-triazine / Alcohol / Amidine / Amine / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Carbamic acid ester
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
43EP6XV33E
CAS number
1219707-39-7
InChI Key
QLUWQAFDTNAYPN-LLVKDONJSA-N
InChI
InChI=1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1
IUPAC Name
(5R)-3-[3-fluoro-4-(1-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILES
CN1CCN(C=N1)C1=CC=C(C=C1F)N1C[C@H](CO)OC1=O

References

General References
Not Available
PubChem Compound
44205191
PubChem Substance
347829204
ChemSpider
26388860
ChEMBL
CHEMBL1673408

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentMycobacterium abscessus infection / Mycobacterium Infections, Nontuberculous1
2CompletedTreatmentInfections and infestations / Pulmonary Tuberculosis (TB)1
2CompletedTreatmentPulmonary Tuberculosis (TB)1
2RecruitingTreatmentMRSA Bacteremia1
1CompletedTreatmentHealthy Volunteers (HV)7

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 Solubility0.948 mg/mLALOGPS
logP-0.49ALOGPS
logP0.11Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)14.61Chemaxon
pKa (Strongest Basic)3.35Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area68.61 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity77.66 m3·mol-1Chemaxon
Polarizability30.88 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0019000000-6bfc62928b3cb9b22fac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a59-0090000000-04989864b61b47682c2e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-0093000000-fac8931ae46959fb7af6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05g0-2090000000-4a6840b5c85acb6dd9af
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-008c-0090000000-cfc07a7fc4c6d089c7c3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0knd-1190000000-da1f4b348e5ebc1b3080
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]-167.12245
predicted
DeepCCS 1.0 (2019)
[M+H]+169.48045
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.5736
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:45 / Updated at July 07, 2023 12:10