| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1986) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt Prodrug |
| ATC: | C01DA08 |
| UNII: | IA7306519N |
| Parent Compound: | ISOSORBIDE |
Structure
| InChI Key | MOYKHGMNXAOIAT-JGWLITMVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O8 |
| Molecular Weight | 236.14 |
| AlogP | -1.06 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 123.2 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 114 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetic Foot | 3 | D017719 | ClinicalTrials |
| Myocardial Ischemia | 3 | D017202 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Muscular Dystrophy, Duchenne | 1 | D020388 | ClinicalTrials |
| Acute Coronary Syndrome | 0 | D054058 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 87-33-2 |
| ChEBI | 6061 |
| ChEMBL | CHEMBL6622 |
| DrugBank | DB00883 |
| DrugCentral | 1505 |
| EPA CompTox | DTXSID0045832 |
| FDA SRS | IA7306519N |
| Human Metabolome Database | HMDB0015021 |
| Guide to Pharmacology | 7051 |
| KEGG | C07456 |
| PharmGKB | PA450125 |
| PubChem | 6883 |
| SureChEMBL | SCHEMBL8253 |
| ZINC | ZINC000018089317 |
CONTENTS