EcoDrugPlus


Synonyms	Fanasil Fanasulf Fanzil J21.373J NSC-759319 RO 4-4393 RO-4-4393 RO-44393 Sulfadoxin Sulfadoxine Sulfadoxinum Sulforthamidine Sulphadoxine Sulphormethoxine WR-4073
Status
Molecule Category	Free-form
UNII	88463U4SM5
EPA CompTox	DTXSID6023608


InChI Key	PJSFRIWCGOHTNF-UHFFFAOYSA-N
Smiles	COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
InChI	InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)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	ACID
Aromatic Rings	2.0
Heavy Atoms	21.0

Mechanism of Action	Action	Reference
Dihydropteroate synthetase inhibitor	INHIBITOR	DailyMed Wikipedia

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium berghei	-	-	-	-	96-100
Plasmodium falciparum 3D7	30	-	-	-	-
Plasmodium falciparum D6	-	40	-	-	-

Resources	Reference
ChEBI	9329
ChEMBL	CHEMBL1539
DrugBank	DB01299
DrugCentral	2503
FDA SRS	88463U4SM5
Human Metabolome Database	HMDB0015413
Guide to Pharmacology	10173
KEGG	C07630
PharmGKB	PA451540
PubChem	17134
SureChEMBL	SCHEMBL41069
ZINC	ZINC000000002094

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

SULFADOXINE

Structure

Physicochemical Descriptors

Pharmacology

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