General
Preferred name
FLUMEQUINE
Synonyms
R-802 ()
Flumigal ()
NSC-757806 ()
Apurone ()
Flumequine ()
Flumequine-13C3 ()
P&D ID
PD001520
CAS
42835-25-6
143984-63-8
1185049-09-5
Tags
natural product
drug
available
Drug Status
approved
withdrawn
Drug indication
Antibacterial
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
15
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
261.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
2.35
TPSA
59.3
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Anti-infection
Cell Cycle/DNA Damage
Target
Topo II
antibiotic
Bacterial
Topoisomerase
ATC
J01MB07
Toxicity type
carcinogenicity
Source data
