CINOXACIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01MB06
UNII LMK22VUH23
EPA CompTox DTXSID8022822

Structure

InChI Key VDUWPHTZYNWKRN-UHFFFAOYSA-N
Smiles CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChI
InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10N2O5
Molecular Weight 262.22
AlogP 0.84
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 90.65
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR FDA ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.36
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101.46-112.16
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 101.46-112.16
Homo sapiens
- - - - 3.36

Cross References

Resources Reference
ChEBI 3716
ChEMBL CHEMBL1208
DrugBank DB00827
DrugCentral 657
FDA SRS LMK22VUH23
Human Metabolome Database HMDB0014965
KEGG C08052
PharmGKB PA449007
PubChem 2762
SureChEMBL SCHEMBL43770
ZINC ZINC000000032350
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