| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | Q13SKS21MN |
Structure
| InChI Key | UFBJCMHMOXMLKC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4N2O5 |
| Molecular Weight | 184.11 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 106.51 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Carboxylic acid receptor
Kynurenic acid receptor
|
31100 | - | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 75 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 42017 |
| ChEMBL | CHEMBL273386 |
| DrugBank | DB04528 |
| EPA CompTox | DTXSID0020523 |
| FDA SRS | Q13SKS21MN |
| KEGG | C02496 |
| PDB | DNF |
| PubChem | 1493 |
| SureChEMBL | SCHEMBL77643 |
| ZINC | ZINC000012358776 |
CONTENTS