MAFENIDE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC D06BA03
UNII 58447S8P4L
EPA CompTox DTXSID6047860

Structure

InChI Key TYMRLRRVMHJFTF-UHFFFAOYSA-N
Smiles NCc1ccc(S(N)(=O)=O)cc1
InChI
InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O2S
Molecular Weight 186.24
AlogP -0.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 86.18
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 0.3-973 -
Enzyme
- - - 0.3-973 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Astrosclera willeyana
- - - 973 -
Brucella suis
- - - 768 -
Candida glabrata
- - - 865 -
Colwellia psychrerythraea
- - - 562 -
Enterobacter sp.
- - - 93.6 -
Helicobacter pylori
- - - 170-873 -
Homo sapiens
- - - 0.3-612 -
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 516-757 -
Leishmania donovani chagasi
- - - 350 -
Malassezia globosa CBS 7966
- - - 174 -
Methanosarcina thermophila
- - - 350-350 -
Mus musculus
- - - 41-970 -
Nostoc commune
- - - 825-825 -
Plasmodium falciparum
- - - 904 -
Porphyromonas gingivalis
- - - 783-945 -
Saccharomyces cerevisiae
- - - 433 -
Stylophora pistillata
- - - 82.5-508 -
Sulfurihydrogenibium yellowstonense
- - - 350-350 -
Thalassiosira weissflogii
- - - 424 -
Thiomicrospira crunogena XCL-2
- - - 202 -
Vibrio cholerae
- - - 80.6-447 -

Related Entries

Cross References

Resources Reference
ChEBI 6633
ChEMBL CHEMBL419
DrugBank DB06795
DrugCentral 1624
FDA SRS 58447S8P4L
KEGG C07106
PDB 6LH
PubChem 3998
SureChEMBL SCHEMBL41628
ZINC ZINC000000001644
CONTENTS