EcoDrugPlus


Synonyms	Cyclopenthiazide NSC-107679 Navidrex SU-8341
Status
Molecule Category	Free-form
ATC	C03AA07
UNII	VX4S2N85F5
EPA CompTox	DTXSID4022868


InChI Key	BKYKPTRYDKTTJY-UHFFFAOYSA-N
Smiles	NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O
InChI	InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)

Property Name	Value
Molecular Formula	C13H18ClN3O4S2
Molecular Weight	379.89
AlogP	1.6
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	118.36
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	23.0

Resources	Reference
CAS NUMBER	742-20-1
ChEBI	91686
ChEMBL	CHEMBL1373254
DrugBank	DB13532
DrugCentral	756
FDA SRS	VX4S2N85F5
Guide to Pharmacology	7899
PubChem	2904
SureChEMBL	SCHEMBL49142

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

CYCLOPENTHIAZIDE

Structure

Physicochemical Descriptors

Related Entries

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