BENZTHIAZIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1TD8J48L61

Structure
InChI Key NDTSRXAMMQDVSW-UHFFFAOYSA-N
Smile 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)

Physicochemical Descriptors

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

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 Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 57
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 57430 - - -

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
50.0
Injury, poisoning and procedural complications
50.0

Cross References

Resources Reference
CAS NUMBER 91-33-8
ChEBI 3047
ChEMBL CHEMBL1201039
DrugBank DB00562
DrugCentral 332
EPA CompTox DTXSID4022658
FDA SRS 1TD8J48L61
Human Metabolome Database HMDB0014702
Guide to Pharmacology 7125
KEGG C07759
PharmGKB PA164776841
PubChem 2343
SureChEMBL SCHEMBL26257
ZINC ZINC000003871698
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