SULFAMETHOXAZOLE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01EC01
UNII JE42381TNV
EPA CompTox DTXSID8026064

Structure

InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N
Smiles Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N3O3S
Molecular Weight 253.28
AlogP 1.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 98.22
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Bacterial dihydropteroate synthase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - -
Enzyme Oxidoreductase
- 100 - - -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- - 577 10.1 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 94.47-104.29
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 94.47-104.29
Homo sapiens
- - - -
Human immunodeficiency virus 1
- - 577 10.1 -
Pneumocystis carinii
- 100 - - -

Environmental Exposure

Environmental Exposure Map
Countries
Bangladesch
Croatia
Czech Republic
Germany
Hungary
India
Romania
Serbia
Slovakia
Slovenia
South Africa
USA
Vietnam

Cross References

Resources Reference
ChEBI 9332
ChEMBL CHEMBL443
DrugBank DB01015
DrugCentral 2514
FDA SRS JE42381TNV
Human Metabolome Database HMDB0015150
Guide to Pharmacology 10933
KEGG C07315
PDB 08D
PharmGKB PA451544
PubChem 5329
SureChEMBL SCHEMBL3656
ZINC ZINC000000089763
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