FEXINIDAZOLE

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P01CA03
UNII: 306ERL82IR

Structure
InChI Key MIWWSGDADVMLTG-UHFFFAOYSA-N
Smile CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1
InChI
InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13N3O3S
Molecular Weight 279.32
AlogP 2.63
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 70.19
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
None Cytotoxic PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Trypanosomiasis, African 4 D014353 FDA
Chagas Disease 2 D014355 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Leishmaniasis, Visceral 2 D007898 ClinicalTrials
Chagas Disease 2 D014355 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 59729-37-2
ChEMBL CHEMBL1631694
DrugBank DB12265
EPA CompTox DTXSID00208448
FDA SRS 306ERL82IR
PubChem 68792
SureChEMBL SCHEMBL1163575
ZINC ZINC000000001448
CONTENTS