BENDROFLUMETHIAZIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03AA01
UNII: 5Q52X6ICJI

Structure
InChI Key HDWIHXWEUNVBIY-UHFFFAOYSA-N
Smile 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)

Physicochemical Descriptors

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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thiazide-sensitive sodium-chloride cotransporter inhibitor DOI
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 69550 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 4 D006973 ClinicalTrials

Related Entries

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
12.12
General disorders and administration site conditions
12.12
Nervous system disorders
12.12
Skin and subcutaneous tissue disorders
12.12
Vascular disorders
12.12
Eye disorders
6.06
Infections and infestations
6.06
Renal and urinary disorders
6.06
Respiratory, thoracic and mediastinal disorders
6.06
Cardiac disorders
3.03
Immune system disorders
3.03
Injury, poisoning and procedural complications
3.03
Musculoskeletal and connective tissue disorders
3.03
Psychiatric disorders
3.03

Cross References

Resources Reference
CAS NUMBER 73-48-3
ChEBI 3013
ChEMBL CHEMBL1684
DrugBank DB00436
DrugCentral 305
EPA CompTox DTXSID5022647
FDA SRS 5Q52X6ICJI
Human Metabolome Database HMDB0014580
Guide to Pharmacology 7122
KEGG C07758
PharmGKB PA448563
PubChem 2315
SureChEMBL SCHEMBL26016
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