General
Preferred name
GEPOTIDACIN
Synonyms
GSK2140944 ()
Gepotidacin (mesylate hydrate) ()
Gepotidacine ()
Gepotidacina ()
GSK-2140944 ()
Gepotidacin mesilate dihydrate ()
GSK-2140944E ()
GSK2140944E ()
Gepotidacin mesylate dihydrate ()
GEPOTIDACIN MESYLATE ()
P&D ID
PD058659
CAS
1075236-89-3
1624306-20-2
Tags
available
drug candidate
Drug indication
Urinary tract infection
Acute bacterial skin infection
Neisseria gonorrhoeae infection
Drug Status
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Gepotidacin (formerly GSK2140944) is a novel, first-in-class, triazaacenaphthylene antibacterial that inhibits bacterial DNA gyrase and topoisomerase IV via a unique mechanism . It was developed for potential to treat conventional and biothreat pathogens including MRSA, respiratory tract infections, acute bacterial skin and skin structure infections (ABSSI) , and uncomplicated urogenital gonorrhea . (GtoPdb)
DESCRIPTION Gepotidacin is a potent Type II DNA topoisomerase inhibitor. It is a novel antibacterial drug candidate. It is used for the treatment of gram positive bacterial infection of skin and skin structure. It is also used for the treatment of gonorrhea. It was developed by GlaxoSmithKline R & D and in clinic phase 2 trials. (BOC Sciences Bioactive Compounds)
Compound Sets
7
BOC Sciences Bioactive Compounds
gepotidacin-cas-1075236-89-3-item-475033
ChEMBL Drugs
CHEMBL3317856
CHEMBL3545364
Drug Repurposing Hub
DrugBank
DB12134
DrugMAP
DMSMFN2
Guide to Pharmacology
10817
MedChem Express Bioactive Compound Library
HY-16742
HY-16742B
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
448.22
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
6
Aromatic Ring Count
3
cLogP
1.09
TPSA
94.28
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Topoisomerase inhibitor
Pathway
Anti-infection
Cell Cycle/DNA Damage
Target
antibiotic
Bacterial
Topoisomerase
Solubility
10 mM in DMSO
Source data