EcoDrugPlus


Synonyms	Chlorguanide Chloroguanide Proguanil
Status
Molecule Category	Free-form
UNII	S61K3P7B2V
EPA CompTox	DTXSID3022794


InChI Key	SSOLNOMRVKKSON-UHFFFAOYSA-N
Smiles	CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
InChI	InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)

Property Name	Value
Molecular Formula	C11H16ClN5
Molecular Weight	253.74
AlogP	2.21
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	17.0

Resources	Reference
ChEBI	8455
ChEMBL	CHEMBL1377
DrugBank	DB01131
DrugCentral	2282
FDA SRS	S61K3P7B2V
Human Metabolome Database	HMDB0015263
Guide to Pharmacology	9676
KEGG	C07631
PharmGKB	PA451124
SureChEMBL	SCHEMBL16894670
ZINC	ZINC000095452610

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

CHLOROGUANIDE

Structure

Physicochemical Descriptors

Related Entries

Cross References