AMILORIDE

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Synonyms
Status
Molecule Category Free-form
ATC C03DB01
UNII 7DZO8EB0Z3
EPA CompTox DTXSID9043853

Structure

InChI Key XSDQTOBWRPYKKA-UHFFFAOYSA-N
Smiles N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
InChI
InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8ClN7O
Molecular Weight 229.63
AlogP -1.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 156.79
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 0-23
Ion channel Ligand-gated ion channel Acid-sensing ion channel
- - - - 22-65
Ion channel Ligand-gated ion channel Epithelial sodium channel
- 776 - - 68-68
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 68.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 776 - - -
Cavia porcellus
- 540-540 - - -
Homo sapiens
- 220-220 - - 0-68.7
Rattus norvegicus
- - - - 23.49

Environmental Exposure

Environmental Exposure Map
Countries
Czech Republic
Hungary
Serbia

Cross References

Resources Reference
ChEBI 2639
ChEMBL CHEMBL945
DrugBank DB00594
DrugCentral 158
FDA SRS 7DZO8EB0Z3
Human Metabolome Database HMDB0014732
Guide to Pharmacology 2421
KEGG C06821
PDB AMR
PharmGKB PA448368
PubChem 16231
SureChEMBL SCHEMBL27562
ZINC ZINC000004340269
CONTENTS