| Synonyms: | |
| Status: | Approved (1990) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 2GT1D0TMX1 |
Structure
| InChI Key | FUBVWMNBEHXPSU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H25N3O4S |
| Molecular Weight | 427.53 |
| AlogP | 4.11 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 71.11 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
|
- | - | - | - | 24 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31883-05-3 |
| ChEBI | 6997 |
| ChEMBL | CHEMBL1075 |
| DrugBank | DB00680 |
| DrugCentral | 1842 |
| EPA CompTox | DTXSID4023335 |
| FDA SRS | 2GT1D0TMX1 |
| Human Metabolome Database | HMDB0014818 |
| Guide to Pharmacology | 7244 |
| KEGG | C07743 |
| PharmGKB | PA164747738 |
| PubChem | 34633 |
| SureChEMBL | SCHEMBL16794 |
| ZINC | ZINC000019340795 |
CONTENTS