| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A07AB03 |
| UNII: | 15XQ8043FN |
Structure
| InChI Key | BRBKOPJOKNSWSG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N4O2S |
| Molecular Weight | 214.25 |
| AlogP | -0.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 124.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | 49000 | - | - | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | 1350 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 108 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 94621 |
| ChEMBL | CHEMBL338802 |
| DrugBank | DB13726 |
| DrugCentral | 2505 |
| EPA CompTox | DTXSID1023609 |
| FDA SRS | 15XQ8043FN |
| PubChem | 5324 |
| SureChEMBL | SCHEMBL93639 |
| ZINC | ZINC000003873927 |
CONTENTS