EcoDrugPlus


Trade Names	AQUATAG BENZTHIAZIDE EXNA FOVANE URESE
Synonyms	Aquatag Benzothiazide Benzthiazide Exna Fovane NSC-755902 Urese
Status
Molecule Category	Free-form
UNII	1TD8J48L61
EPA CompTox	DTXSID4022658


InChI Key	NDTSRXAMMQDVSW-UHFFFAOYSA-N
Smiles	NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O
InChI	InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)

Property Name	Value
Molecular Formula	C15H14ClN3O4S3
Molecular Weight	431.95
AlogP	2.24
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	118.69
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	26.0

Mechanism of Action	Action	Reference
Thiazide-sensitive sodium-chloride cotransporter inhibitor	INHIBITOR	DOI

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	56.86-74.12

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	56.86-74.12

Resources	Reference
ChEBI	3047
ChEMBL	CHEMBL1201039
DrugBank	DB00562
DrugCentral	332
FDA SRS	1TD8J48L61
Human Metabolome Database	HMDB0014702
Guide to Pharmacology	7125
KEGG	C07759
PharmGKB	PA164776841
PubChem	2343
SureChEMBL	SCHEMBL26257
ZINC	ZINC000003871698

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

BENZTHIAZIDE

Structure

Physicochemical Descriptors

Pharmacology

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