| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1981) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | FZJ37245UC |
| Parent Compound: | AMILORIDE |
Structure
| InChI Key | LTKVFMLMEYCWMK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| 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 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cystic Fibrosis | 2 | D003550 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| 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 |
CONTENTS