Trade Names: | |
Synonyms: | |
Status: | Approved (1981) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | FZJ37245UC |
Parent Compound: | AMILORIDE |
InChI Key | LTKVFMLMEYCWMK-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C6H13Cl2N7O3 |
Molecular Weight | 302.12 |
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 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | 11000 | - | 7000 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 52 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Cystic Fibrosis | 2 | D003550 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 2640 |
ChEMBL | CHEMBL1398126 |
EPA CompTox | DTXSID80169826 |
FDA SRS | FZJ37245UC |
Guide to Pharmacology | 2421 |
KEGG | C06821 |
PDB | AMR |
PubChem | 68540 |
SureChEMBL | SCHEMBL41234 |
ZINC | ZINC04340269 |