NAV

Gepotidacin

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

Identification

Generic Name
Gepotidacin
DrugBank Accession Number
DB12134
Background

Gepotidacin has been used in trials studying the treatment of Gonorrhea, Infections, Bacterial, and Infections, Respiratory Tract.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 448.527
Monoisotopic: 448.222288786
Chemical Formula
C24H28N6O3
Synonyms
  • Gepotidacin
External IDs
  • GSK-2140944
  • GSK2140944
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
Not Available
Food Interactions
Not Available

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
Gepotidacin Hydrochloride30Z5B7ACV61075235-46-9DPAHPKBTWARMFG-FSRHSHDFSA-N
Gepotidacin Mesylate5P7X0H2O6B1624306-20-2MTLHHQWYERWLIX-RGFWRHHQSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyranopyridines
Sub Class
Not Available
Direct Parent
Pyranopyridines
Alternative Parents
Pyridopyrazines / Imidazopyridines / Imidazopyrazines / 2-pyridylmethylamines / Pyridinones / Alkyl aryl ethers / Aminopiperidines / Aralkylamines / Pyrazines / Heteroaromatic compounds
show 8 more
Substituents
2-pyridylmethylamine / 4-aminopiperidine / Alkyl aryl ether / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Ether / Heteroaromatic compound
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
DVF0PR037D
CAS number
1075236-89-3
InChI Key
PZFAZQUREQIODZ-LJQANCHMSA-N
InChI
InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
IUPAC Name
(3R)-3-({4-[({2H,3H,4H-pyrano[2,3-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}methyl)-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione
SMILES
O=C1C=CC2=C3N1C[C@@H](CN1CCC(CC1)NCC1=CC4=C(OCCC4)C=N1)N3C(=O)C=N2

References

General References
Not Available
PubChem Compound
25101874
PubChem Substance
347828432
ChemSpider
34982930
BindingDB
50050549
ChEMBL
CHEMBL3317856
PDBe Ligand
JHN
Wikipedia
Gepotidacin
PDB Entries
6qtk / 6qtp / 6rks / 6rku / 6rkw

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentNeisseria Gonorrhoeae Infection1
3CompletedTreatmentUrinary Tract Infection2
3RecruitingTreatmentUrinary Tract Infection1
2CompletedTreatmentBacterial Infections2
2CompletedTreatmentNeisseria Gonorrhoeae Infection1

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 Solubility0.311 mg/mLALOGPS
logP0.97ALOGPS
logP0.16Chemaxon
logS-3.2ALOGPS
pKa (Strongest Basic)8.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area90.37 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity133.84 m3·mol-1Chemaxon
Polarizability49.25 Å3Chemaxon
Number of Rings6Chemaxon
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/MSsplash10-0002-0000900000-b12b77aac5b61627c910
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0001900000-0f8b4d65c0c634300d6b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0010900000-96796303e9bed11f9522
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0100900000-e97cb129fa398b386de1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fy9-0492700000-963398da4087e017fa81
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0035-0924700000-bcb3329ee2a282a7d3de
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]-200.47108
predicted
DeepCCS 1.0 (2019)
[M+H]+202.86667
predicted
DeepCCS 1.0 (2019)
[M+Na]+208.84612
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:24 / Updated at February 21, 2021 18:53