EcoDrugPlus


Trade Names	NATURETIN-10 NATURETIN-2.5 NATURETIN-5
Synonyms	Aprinox Bendrofluazide Bendroflumethiazide Benzydroflumethiazide Berkozide Centyl NSC-758229 Naturetin Naturetin-10 Naturetin-2.5 Naturetin-5 Neo-bendromax 2.5 Neo-bendromax 5 Neo-naclex Urizide
Status
Molecule Category	Free-form
ATC	C03AA01
UNII	5Q52X6ICJI
EPA CompTox	DTXSID5022647


InChI Key	HDWIHXWEUNVBIY-UHFFFAOYSA-N
Smiles	NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O
InChI	InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)

Property Name	Value
Molecular Formula	C15H14F3N3O4S2
Molecular Weight	421.42
AlogP	1.63
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	2.0
Heavy Atoms	27.0

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

Resources	Reference
ChEBI	3013
ChEMBL	CHEMBL1684
DrugBank	DB00436
DrugCentral	305
FDA SRS	5Q52X6ICJI
Human Metabolome Database	HMDB0014580
Guide to Pharmacology	7122
KEGG	C07758
PharmGKB	PA448563
PubChem	2315
SureChEMBL	SCHEMBL26016

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

BENDROFLUMETHIAZIDE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References