NAV

Nemonoxacin

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

Identification

Generic Name
Nemonoxacin
DrugBank Accession Number
DB06600
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 371.437
Monoisotopic: 371.184506297
Chemical Formula
C20H25N3O4
Synonyms
  • Nemonoxacin
External IDs
  • tg-873870
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Pharmacology

Indication

Investigated for use/treatment in bacterial infection and pneumonia.

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
AcarboseThe therapeutic efficacy of Acarbose can be increased when used in combination with Nemonoxacin.
AceclofenacAceclofenac may increase the neuroexcitatory activities of Nemonoxacin.
AcemetacinAcemetacin may increase the neuroexcitatory activities of Nemonoxacin.
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Nemonoxacin.
AcetaminophenThe metabolism of Acetaminophen can be decreased when combined with Nemonoxacin.
Food Interactions
Not Available

Categories

ATC Codes
J01MB08 — Nemonoxacin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Quinoline carboxylic acids
Direct Parent
Quinoline carboxylic acids
Alternative Parents
Hydroquinolones / Aminoquinolines and derivatives / Hydroquinolines / Pyridinecarboxylic acids / Methoxyanilines / Dialkylarylamines / Anisoles / Alkyl aryl ethers / Aminopiperidines / Vinylogous amides
show 9 more
Substituents
3-aminopiperidine / Alkyl aryl ether / Amine / Amino acid / Amino acid or derivatives / Aminoquinoline / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
P94L0PVO94
CAS number
378746-64-6
InChI Key
AVPQPGFLVZTJOR-RYUDHWBXSA-N
InChI
InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1
IUPAC Name
7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES
COC1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N1C[C@@H](C)C[C@H](N)C1)C1CC1

References

General References
Not Available
ChemSpider
10166207
ChEBI
136053
ChEMBL
CHEMBL1213456
ZINC
ZINC000040435195
Wikipedia
Nemonoxacin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentCommunity Acquired Pneumonia (CAP)1
3CompletedTreatmentBacterial Pneumonia1
3CompletedTreatmentCommunity Acquired Pneumonia (CAP)1
3CompletedTreatmentPneumonia1
2CompletedTreatmentCommunity Acquired Pneumonia (CAP)2

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 Solubility0.453 mg/mLALOGPS
logP0.32ALOGPS
logP-0.44Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)5.73Chemaxon
pKa (Strongest Basic)9.66Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area96.1 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity103.06 m3·mol-1Chemaxon
Polarizability40.05 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-05fr-0009000000-a7133fc98052e9216234
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-5b176df0d64dab448e11
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0029000000-44786034d7a911202d67
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-2b5f46350635e598a393
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-1049000000-1ea46b7b782de523038e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-0298000000-99368f1791c9fb6ddaff
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]-186.06628
predicted
DeepCCS 1.0 (2019)
[M+H]+188.46187
predicted
DeepCCS 1.0 (2019)
[M+Na]+194.37437
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 1A2
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Inhibitor
Curator comments
This drug is a quinolone, and these agents are known to inhibit CYP1A2.
General Function
Oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP1A2
Uniprot ID
P05177
Uniprot Name
Cytochrome P450 1A2
Molecular Weight
58293.76 Da
References
  1. Fuhr U, Strobl G, Manaut F, Anders EM, Sorgel F, Lopez-de-Brinas E, Chu DT, Pernet AG, Mahr G, Sanz F, et al.: Quinolone antibacterial agents: relationship between structure and in vitro inhibition of the human cytochrome P450 isoform CYP1A2. Mol Pharmacol. 1993 Feb;43(2):191-9. [Article]
  2. Shahzadi A, Javed I, Aslam B, Muhammad F, Asi MR, Ashraf MY, Zia-ur-Rahman: Therapeutic effects of ciprofloxacin on the pharmacokinetics of carbamazepine in healthy adult male volunteers. Pak J Pharm Sci. 2011 Jan;24(1):63-8. [Article]
  3. Get to Know an Enzyme: CYP1A2 [Link]

Drug created at March 19, 2008 16:39 / Updated at February 21, 2021 18:52