METOLAZONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C03BA08
UNII TZ7V40X7VX
EPA CompTox DTXSID6045167

Structure

InChI Key AQCHWTWZEMGIFD-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Thiazide-sensitive sodium-chloride cotransporter inhibitor INHIBITOR DOI DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 2.1 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 62.42-66.79
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 62.42-66.79
Homo sapiens
- - - 2.1 -

Related Entries

Cross References

Resources Reference
ChEBI 64354
ChEMBL CHEMBL878
DrugBank DB00524
DrugCentral 1783
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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