| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A03AA04 |
| UNII: | 7F80CC3NNV |
Structure
| InChI Key | VYVKHNNGDFVQGA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H35NO5 |
| Molecular Weight | 429.56 |
| AlogP | 4.6 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 57.23 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | - | - | - | 10 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Irritable Bowel Syndrome | 3 | D043183 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3625-06-7 |
| ChEBI | 91514 |
| ChEMBL | CHEMBL282121 |
| DrugBank | DB12554 |
| DrugCentral | 1642 |
| EPA CompTox | DTXSID6023238 |
| FDA SRS | 7F80CC3NNV |
| Guide to Pharmacology | 9011 |
| PubChem | 4031 |
| SureChEMBL | SCHEMBL25804 |
CONTENTS