NAV

Lanopepden

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

Identification

Generic Name
Lanopepden
DrugBank Accession Number
DB11912
Background

Lanopepden has been used in trials studying the treatment of Pneumonia, Infections, Bacterial, Skin Diseases, Infectious, and Skin Infections, Bacterial.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 479.557
Monoisotopic: 479.265630766
Chemical Formula
C22H34FN7O4
Synonyms
  • Lanopepden
External IDs
  • GSK-1322322B
  • GSK1322322
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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
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interactions in your software
AcenocoumarolThe risk or severity of bleeding can be increased when Lanopepden is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Lanopepden is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Lanopepden is combined with Articaine.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Lanopepden.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Lanopepden is combined with Benzocaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Lanopepden MesylateYW25HPP5011441390-17-5UNGNACZMQRGYNV-URBRKQAFSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Beta amino acids and derivatives / Dialkylarylamines / Aminopyrimidines and derivatives / N-alkylpiperazines / Halopyrimidines / Aryl fluorides / Morpholines / Imidolactams / Heteroaromatic compounds / Trialkylamines
show 9 more
Substituents
Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Beta amino acid or derivatives / Carbonyl group / Carboxylic acid derivative
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
12M6KFD07E
CAS number
1152107-25-9
InChI Key
SWHNZGMQMGFQGW-MSOLQXFVSA-N
InChI
InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
IUPAC Name
N-[(2R)-2-(N'-{6-[(9aS)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-5-fluoro-2-methylpyrimidin-4-yl}hydrazinecarbonyl)-2-(cyclopentylmethyl)ethyl]-N-hydroxyformamide
SMILES
CC1=NC(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)=C(F)C(=N1)N1CCN2CCOC[C@@H]2C1

References

General References
Not Available
PubChem Compound
52918384
PubChem Substance
347828244
ChemSpider
29363185
ChEMBL
CHEMBL3301608

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBacterial skin infections1
1CompletedTreatmentBacterial Infections3
1TerminatedTreatmentBacterial Infections1
1WithdrawnTreatmentBacterial Infections2

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 Solubility0.304 mg/mLALOGPS
logP1.6ALOGPS
logP1.64Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)8.42Chemaxon
pKa (Strongest Basic)7.09Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area123.16 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity126 m3·mol-1Chemaxon
Polarizability50.61 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0000900000-6f0e86ef9c7ddc429008
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-0000900000-dec51fd71b77fdfe1784
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lr-0102900000-398aa4c0ffa4c6891f66
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-7000900000-50a17b07b83b6fe86c7a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9212400000-85e31a008d628c6355cd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052b-6937600000-506d4dc4610186c9c11d
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]-202.16405
predicted
DeepCCS 1.0 (2019)
[M+H]+204.52367
predicted
DeepCCS 1.0 (2019)
[M+Na]+211.10567
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:59 / Updated at February 21, 2021 18:53