NITROFURANTOIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01XE01
UNII 927AH8112L

Structure

InChI Key NXFQHRVNIOXGAQ-YCRREMRBSA-N
Smiles O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
InChI
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6N4O5
Molecular Weight 238.16
AlogP 0.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 118.05
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 41-97
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 91
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -1.5-100.8
Unclassified protein
- - - 816 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorocebus sabaeus
- 0.9 - - -
Cricetulus griseus
- - - - 97.62-100.8
Escherichia coli
690 - - - -
Homo sapiens
- - - 816 -1.5-78
unidentified
- - - - 91

Cross References

Resources Reference
ChEBI 71415
ChEMBL CHEMBL572
DrugBank DB00698
DrugCentral 1949
FDA SRS 927AH8112L
Guide to Pharmacology 10917
KEGG C07268
PDB U6Z
PubChem 6604200
SureChEMBL SCHEMBL29470
ZINC ZINC000003875368
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