TRICHLORMETHIAZIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03AA06
UNII: Q58C92TUN0

Structure
InChI Key LMJSLTNSBFUCMU-UHFFFAOYSA-N
Smile NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O
InChI
InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Cl3N3O4S2
Molecular Weight 380.66
AlogP 0.82
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 118.36
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thiazide-sensitive sodium-chloride cotransporter inhibitor DOI
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 134 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 82

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 133-67-5
ChEBI 9683
ChEMBL CHEMBL1054
DrugBank DB01021
DrugCentral 2733
EPA CompTox DTXSID7023699
FDA SRS Q58C92TUN0
Human Metabolome Database HMDB0015156
Guide to Pharmacology 7314
KEGG C07767
PDB TRU
PharmGKB PA164752426
PubChem 5560
SureChEMBL SCHEMBL25492
ZINC ZINC00897236
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