EcoDrugPlus


Synonyms	Madribon NSC-683544 NSC-757860 Sulfadimethoxine Sulphadimethoxine
Status
Molecule Category	Free-form
ATC	J01ED01
UNII	30CPC5LDEX
EPA CompTox	DTXSID1023607


InChI Key	ZZORFUFYDOWNEF-UHFFFAOYSA-N
Smiles	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)

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

Mechanism of Action	Action	Reference
Bacterial dihydropteroate synthase inhibitor	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	-	-	-	-	103.01-118.68

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	103.01-118.68

Countries
Croatia
Czech Republic
Hungary

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

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

SULFADIMETHOXINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Environmental Exposure

Cross References