EcoDrugPlus


Trade Names	CHLOROTHIAZIDE DIURIL
Synonyms	Chlorothiazide Chlorthiazide Diuril Hydrochlorothiazide impurity, chlorothiazide- NSC-25693 Saluric
Status
Molecule Category	Free-form
ATC	C03AA04
UNII	77W477J15H
EPA CompTox	DTXSID0022800


InChI Key	JBMKAUGHUNFTOL-UHFFFAOYSA-N
Smiles	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
InChI	InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)

Property Name	Value
Molecular Formula	C7H6ClN3O4S2
Molecular Weight	295.73
AlogP	-0.06
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	118.69
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	17.0

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	-	-	-	-	69.93-78.08

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	69.93-78.08

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Resources	Reference
ChEBI	3640
ChEMBL	CHEMBL842
DrugBank	DB00880
DrugCentral	609
FDA SRS	77W477J15H
Human Metabolome Database	HMDB0015018
Guide to Pharmacology	4835
KEGG	C07461
PharmGKB	PA448953
PubChem	2720
SureChEMBL	SCHEMBL22329
ZINC	ZINC000003872055

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...

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Last update: Monday, 3 November 2025

CHLOROTHIAZIDE

Structure

Physicochemical Descriptors

Pharmacology

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