CYCLOTHIAZIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C03AA09
UNII: P71U09G5BW

Structure
InChI Key BOCUKUHCLICSIY-UHFFFAOYSA-N
Smile NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O
InChI
InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16ClN3O4S2
Molecular Weight 389.89
AlogP 1.23
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 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thiazide-sensitive sodium-chloride cotransporter inhibitor DOI
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
1000-19800 6100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 2259-96-3
ChEBI 31448
ChEMBL CHEMBL61593
DrugBank DB00606
DrugCentral 761
EPA CompTox DTXSID3022871
FDA SRS P71U09G5BW
Human Metabolome Database HMDB0014744
Guide to Pharmacology 4167
KEGG C12685
PharmGKB PA449168
PubChem 2910
SureChEMBL SCHEMBL121096
CONTENTS