| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | HVF50SMY6E |
| InChI Key | NZHGWWWHIYHZNX-CSKARUKUSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H17NO5 |
| Molecular Weight | 327.34 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 84.86 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 11600 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 56 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 41500 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 1000 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pterygium | 3 | D011625 | ClinicalTrials |
| Arthritis, Rheumatoid | 2 | D001172 | ClinicalTrials |
| Scleredema Adultorum | 0 | D012592 | ClinicalTrials |
| Sarcoidosis | 0 | D012507 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 53902-12-8 |
| ChEBI | 77572 |
| ChEMBL | CHEMBL415324 |
| DrugBank | DB07615 |
| DrugCentral | 2714 |
| EPA CompTox | DTXSID7023693 |
| FDA SRS | HVF50SMY6E |
| Guide to Pharmacology | 6326 |
| PDB | D27 |
| PubChem | 5282230 |
| SureChEMBL | SCHEMBL29875 |
| ZINC | ZINC000000000797 |