NALIDIXIC ACID

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01MB02
UNII 3B91HWA56M
EPA CompTox DTXSID3020912

Structure

InChI Key MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Smiles CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
InChI
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N2O3
Molecular Weight 232.24
AlogP 1.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 72.19
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -8.73-0.82
Enzyme Oxidoreductase
- - - - 34-88
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 63.37-81.71
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 63.37-81.71
Electrophorus electricus
- - - - 0.82
Equus caballus
- - - -
Homo sapiens
- - - - 34-88
Mycobacterium tuberculosis H37Rv
- - - - 63
Setaria cervi
- - - - 20-80

Cross References

Resources Reference
ChEBI 100147
ChEMBL CHEMBL5
DrugBank DB00779
DrugCentral 1875
FDA SRS 3B91HWA56M
Human Metabolome Database HMDB0014917
KEGG C05079
PDB NIX
PharmGKB PA164746384
PubChem 4421
SureChEMBL SCHEMBL21736
ZINC ZINC000000057421
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