SULFAMETHOXYPYRIDAZINE

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Synonyms
Status
Molecule Category Free-form
ATC J01ED05
UNII T034E4NS2Z
EPA CompTox DTXSID5023611

Structure

InChI Key VLYWMPOKSSWJAL-UHFFFAOYSA-N
Smiles COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
InChI
InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N4O3S
Molecular Weight 280.31
AlogP 0.87
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 107.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Bacterial dihydropteroate synthase inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 96.07-141.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 96.07-141.1

Cross References

Resources Reference
ChEBI 102516
ChEMBL CHEMBL268869
DrugBank DB13773
DrugCentral 2515
FDA SRS T034E4NS2Z
PubChem 5330
SureChEMBL SCHEMBL93617
ZINC ZINC000000049141
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