NITROFURAZONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII X8XI70B5Z6
EPA CompTox DTXSID5020944

Structure

InChI Key IAIWVQXQOWNYOU-FPYGCLRLSA-N
Smiles NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChI
InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6N4O4
Molecular Weight 198.14
AlogP 0.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 123.76
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 27
Enzyme Oxidoreductase
- - - - 91-98
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.46-98.78
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 93.46-98.78
Homo sapiens
- - - - 27-98
Leishmania infantum
- - - - 0-0
Mus musculus
- - - - 0-0
Trypanosoma brucei
310 - - - 100-100
Trypanosoma cruzi
- - - - 40-99

Cross References

Resources Reference
ChEMBL CHEMBL869
DrugBank DB00336
DrugCentral 1950
FDA SRS X8XI70B5Z6
Human Metabolome Database HMDB0014480
KEGG C08042
PDB NFZ
PharmGKB PA164754877
PubChem 5447130
SureChEMBL SCHEMBL25416
ZINC ZINC000000897369
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