EcoDrugPlus


Synonyms	Chlorproguanil Proguanil hydrochloride related compound f
Status
Molecule Category	Free-form
UNII	8O3249M729
EPA CompTox	DTXSID5022807


InChI Key	ISZNZKHCRKXXAU-UHFFFAOYSA-N
Smiles	CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)

Property Name	Value
Molecular Formula	C11H15Cl2N5
Molecular Weight	288.18
AlogP	2.86
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	2.0
Polar Surface Area	83.79
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	18.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium falciparum	-	36.5	-	-	-

Resources	Reference
ChEBI	135192
ChEMBL	CHEMBL1213553
DrugBank	DB12314
DrugCentral	620
FDA SRS	8O3249M729
PharmGKB	PA165857067
PubChem	22323
SureChEMBL	SCHEMBL19745866
ZINC	ZINC000000001136

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

CHLORPROGUANIL

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