| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | UKNOWN |
| UNII: | 976728SY6Z |
Structure
| InChI Key | ITPDYQOUSLNIHG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H30ClI2NO3 |
| Molecular Weight | 681.78 |
| AlogP | 6.94 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 42.68 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C1A family
|
- | 4000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
| Chagas Cardiomyopathy | 3 | D002598 | ClinicalTrials |
| Amyloidosis, Familial | 2 | D028226 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 2664 |
| ChEMBL | CHEMBL1083993 |
| EPA CompTox | DTXSID7037185 |
| FDA SRS | 976728SY6Z |
| SureChEMBL | SCHEMBL41348 |
CONTENTS