NIFURTIMOX

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P01CC01
UNII: M84I3K7C2O

Structure
InChI Key ARFHIAQFJWUCFH-IZZDOVSWSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 106.02
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Chagas Disease 4 D014355 ClinicalTrials
Chagas Disease 4 D014355 ClinicalTrials
Trypanosomiasis, African 2 D014353 ClinicalTrials
Neuroblastoma 1 D009447 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 23256-30-6
ChEBI 7566
ChEMBL CHEMBL290960
DrugBank DB11820
DrugCentral 1929
FDA SRS M84I3K7C2O
KEGG C08002
PubChem 6842999
SureChEMBL SCHEMBL1650162
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