| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AB11 |
| UNII: | 5V141XK28X |
Structure
| InChI Key | FSQKKOOTNAMONP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H18ClNO6 |
| Molecular Weight | 415.83 |
| AlogP | 3.47 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 94.83 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | - | - | 12900-49000 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 58 |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31162 |
| ChEMBL | CHEMBL189171 |
| DrugBank | DB13783 |
| DrugCentral | 47 |
| EPA CompTox | DTXSID7022540 |
| FDA SRS | 5V141XK28X |
| PharmGKB | PA166049184 |
| PubChem | 1981 |
| SureChEMBL | SCHEMBL23843 |
| ZINC | ZINC000000601272 |
CONTENTS