SULFADIMETHOXINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01ED01
UNII: 30CPC5LDEX

Structure
InChI Key ZZORFUFYDOWNEF-UHFFFAOYSA-N
Smile COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
InChI
InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14N4O4S
Molecular Weight 310.34
AlogP 0.88
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 116.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor PubMed Wikipedia 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
- - - - 103

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32161
ChEMBL CHEMBL62193
DrugBank DB06150
DrugCentral 2501
EPA CompTox DTXSID1023607
FDA SRS 30CPC5LDEX
Human Metabolome Database HMDB0015621
PharmGKB PA165958357
PubChem 5323
SureChEMBL SCHEMBL93845
ZINC ZINC000013233295
CONTENTS