SULFAMETHIZOLE

Search structure
Trade Names:
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: Parent
ATC: B05CA04
UNII: 25W8454H16

Structure
InChI Key VACCAVUAMIDAGB-UHFFFAOYSA-N
Smile Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChI
InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N4O2S2
Molecular Weight 270.34
AlogP 1.23
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 97.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 835603.02 - - -
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 14.03
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -26.58--2.7
Surface antigen
- - - - 29.3
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100.62
Unclassified protein
- - - - 29.3

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 1 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 144-82-1
ChEBI 9331
ChEMBL CHEMBL1191
DrugBank DB00576
DrugCentral 2512
EPA CompTox DTXSID5023615
FDA SRS 25W8454H16
Human Metabolome Database HMDB14715
KEGG C08050
PharmGKB PA164781307
PubChem 5328
SureChEMBL SCHEMBL26453
ZINC ZINC000000057493
CONTENTS