METOLAZONE

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Trade Names:
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C03BA08
UNII: TZ7V40X7VX

Structure
InChI Key AQCHWTWZEMGIFD-UHFFFAOYSA-N
Smile Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C
InChI
InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16ClN3O3S
Molecular Weight 365.84
AlogP 2.71
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 92.5
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thiazide-sensitive sodium-chloride cotransporter inhibitor DOI DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 2 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 62

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 4 D006333 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials

Related Entries

Scaffolds

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
13.3
Cardiac disorders
11.7
Investigations
10.38
General disorders and administration site conditions
9.71
Vascular disorders
8.66
Respiratory, thoracic and mediastinal disorders
8.5
Renal and urinary disorders
6.68
Gastrointestinal disorders
6.4
Nervous system disorders
5.79
Infections and infestations
3.64
Injury, poisoning and procedural complications
3.64
Musculoskeletal and connective tissue disorders
2.59
Psychiatric disorders
2.15

Cross References

Resources Reference
CAS NUMBER 17560-51-9
ChEBI 64354
ChEMBL CHEMBL878
DrugBank DB00524
DrugCentral 1783
EPA CompTox DTXSID6045167
FDA SRS TZ7V40X7VX
Human Metabolome Database HMDB0014665
Guide to Pharmacology 4838
KEGG D00431
PharmGKB PA164781022
PubChem 4170
SureChEMBL SCHEMBL40558
ZINC ZINC00896755
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