| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C01DX12 |
| UNII: | D46583G77X |
Structure
| InChI Key | XLFWDASMENKTKL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N4O4 |
| Molecular Weight | 242.24 |
| AlogP | 0.09 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 82.78 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
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
|
- | - | - | - | 71 |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 25717-80-0 |
| ChEBI | 92623 |
| ChEMBL | CHEMBL1329455 |
| DrugBank | DB09282 |
| EPA CompTox | DTXSID0045171 |
| FDA SRS | D46583G77X |
| PubChem | 4238 |
| SureChEMBL | SCHEMBL34019 |
CONTENTS