| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02BG06 |
| UNII: | 4UP8060B7J |
Structure
| InChI Key | RGPDEAGGEXEMMM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H19NO |
| Molecular Weight | 253.35 |
| AlogP | 3.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.47 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
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
|
- | - | - | - | 101 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Burns | 2 | D002056 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13669-70-0 |
| ChEBI | 88318 |
| ChEMBL | CHEMBL465026 |
| DrugBank | DB12293 |
| DrugCentral | 1891 |
| EPA CompTox | DTXSID2048535 |
| FDA SRS | 4UP8060B7J |
| PubChem | 4450 |
| SureChEMBL | SCHEMBL23646 |
CONTENTS