NIFURTIMOX

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Synonyms
Status
Molecule Category Free-form
ATC P01CC01
UNII M84I3K7C2O

Structure

InChI Key ARFHIAQFJWUCFH-IZZDOVSWSA-N
Smiles CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1
InChI
InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N3O5S
Molecular Weight 287.3
AlogP 0.64
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 3.0
Polar Surface Area 106.02
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Leishmania amazonensis
800 - - - -
Leishmania donovani
- 110 - - -
Mus musculus
- - - - 26.83
Trypanosoma brucei
- 260 - - -
Trypanosoma brucei brucei
57-600 130-869 - - -
Trypanosoma brucei gambiense
260 - - - -
Trypanosoma cruzi
340-900 240-900 - - 7.3-100
trypanasoma cruzi
- 390 - - -

Cross References

Resources Reference
ChEBI 7566
ChEMBL CHEMBL290960
DrugBank DB11820
DrugCentral 1929
FDA SRS M84I3K7C2O
KEGG C08002
PubChem 6842999
SureChEMBL SCHEMBL1650162
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