NIFURTIMOX

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Search structure


Synonyms	BAY 2502 BAY A2502 BAY-2502 BAY-A2502 BAYER 2502 BAYER-2502 DNDI1613515 Lampit Nifurtimox Nifurtimoxum
Status
Molecule Category	Free-form
ATC	P01CC01
UNII	M84I3K7C2O
EPA CompTox	DTXSID3045439

Structure


InChI Key	ARFHIAQFJWUCFH-IZZDOVSWSA-N
Smiles	CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1
InChI	InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H13N3O5S
Molecular Weight	287.3
AlogP	0.64
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	3.0
Polar Surface Area	106.02
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	19.0

Pharmacology

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	FDA

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Leishmania amazonensis	800	-	-	-	-
Leishmania donovani	-	110	-	-	-
Mus musculus	-	-	-	-	26.83
Trypanosoma brucei	-	260	-	-	-
Trypanosoma brucei brucei	57-600	130-869	-	-	-
Trypanosoma brucei gambiense	260	-	-	-	-
Trypanosoma cruzi	340-900	240-900	-	-	7.3-100
trypanasoma cruzi	-	390	-	-	-

Cross References

Resources	Reference
CAS NUMBER	23256-30-6
ChEBI	7566
ChEMBL	CHEMBL290960
DrugBank	DB11820
DrugCentral	1929
FDA SRS	M84I3K7C2O
KEGG	C08002
PubChem	6842999
SureChEMBL	SCHEMBL1650162

CONTENTS

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026