Benzthiazide

Summary

Benzthiazide (CHEMBL1201039) is an approved small-molecule diuretic.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• Chemistry: 431.9 Da · C15H14ClN3O4S3

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1201039
Name	Benzthiazide
Type	Small molecule
Max phase	4
FDA approved	no
PubChem CID	2343
ChEBI	CHEBI:3047
Molecular formula	C15H14ClN3O4S3
Molecular weight	431.9
InChIKey	NDTSRXAMMQDVSW-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N

IUPAC name: 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

ChEBI definition: 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema.

Pharmacological roles (ChEBI): diuretic, antihypertensive agent.

Also known as: Aquatag, Benzothiazide, Benzthiazide, Benztiazida, Exna, Fovane, NSC-755902, Urese, SID11112238, SID26747882, SID855918, BENZTHIAZIDE

Patent coverage: 16,735 distinct patent families (37,839 SureChEMBL compound mentions), from 3 matched compound structure(s). One matched structure accounts for 28,656 (76%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Broader ChEMBL bioactivity targets: 16 (assay-derived). Sample: Pyruvate kinase PKM, Lysine-specific demethylase 4E, Survival motor neuron protein, Fructose-bisphosphate aldolase, 4’-phosphopantetheinyl transferase ffp, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Alpha-2B adrenergic receptor, Thyrotropin receptor, Menin/Histone-lysine N-methyltransferase MLL.

Bioactivity

ChEMBL activities: 7 potent at pChembl ≥ 5 of 26 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
SMN1	6	Potency	1000	nM	CHEMBL_ACT_3878259
ADRA2C	5.82	AC50	1500	nM	CHEMBL_ACT_25147980
ADRA2A	5.77	AC50	1700	nM	CHEMBL_ACT_25219988
ADRA2A	5.61	AC50	2475	nM	CHEMBL_ACT_25155981
CYP2C9	5.4	Potency	3981	nM	CHEMBL_ACT_5061392
CYP2C9	5.4	AC50	3981	nM	CHEMBL_ACT_5989056
ADRA2B	5.13	AC50	7400	nM	CHEMBL_ACT_25143804

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 0.

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No CPIC/DPWG dosing guideline or drug-level clinical/variant annotations in PharmGKB for this molecule.

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).