INDISULAM

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Synonyms
Status
Molecule Category Free-form
UNII WJ98J3NM90
EPA CompTox DTXSID50168008

Structure

InChI Key SETFNECMODOHTO-UHFFFAOYSA-N
Smiles NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChI
InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12ClN3O4S2
Molecular Weight 385.85
AlogP 2.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 122.12
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 15-65 - 3-963 -
Enzyme
- 15-65 - 3-963 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - 226 -
Astrosclera willeyana
- - - 423 -
Brucella suis
- - - 50-130 -
Candida glabrata
- - - 94 -
Chionodraco hamatus
- - - 385 -
Colwellia psychrerythraea
- - - 491 -
Cryptococcus neoformans
- - - 963-963 -
Enterobacter sp.
- - - 513 -
Helicobacter pylori
- - - 15-434 -
Homo sapiens
- 210 - 3-122 -
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 525 -
Leishmania chagasi
- - - 316 -
Leishmania donovani chagasi
- - - 316 -
Malassezia globosa CBS 7966
- - - 113 -
Mus musculus
- 590-610 - 72 -
Mycobacterium tuberculosis
- - - 15-717 -
Mycobacterium tuberculosis H37Rv
- - - 97 -
Nostoc commune
- - - 92.3-92.3 -
Plasmodium falciparum
- - - 308-723 -
Porphyromonas gingivalis
- - - 131-131 -
Pseudoalteromonas haloplanktis
- - - 86.7-86.7 -
Saccharomyces cerevisiae
- - - 133 -
Streptococcus mutans UA159
- - - 412 -
Stylophora pistillata
- - - 163-394 -
Sulfurihydrogenibium yellowstonense
- - - 84.1-84.1 -
Thalassiosira weissflogii
- - - 375 -
Thiomicrospira crunogena XCL-2
- - - 273 -
Trypanosoma cruzi
- - - 84.5 -
Vibrio cholerae
- - - 8.1-91.3 -

Cross References

Resources Reference
ChEBI 145431
ChEMBL CHEMBL77517
DrugBank DB06370
FDA SRS WJ98J3NM90
Guide to Pharmacology 7046
PDB EF6
PubChem 216468
SureChEMBL SCHEMBL91389
ZINC ZINC000000600748
CONTENTS