| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1958) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | G01AX06 |
| UNII: | 5J9CPU3RE0 |
Structure
| InChI Key | PLHJDBGFXBMTGZ-WEVVVXLNSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N3O5 |
| Molecular Weight | 225.16 |
| AlogP | 0.97 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 98.18 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
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
|
- | - | - | - | 91 |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Disease Susceptibility | Phase 4 | ClinicalTrials |
| Helicobacter Infections; Infection | Phase 4 | ClinicalTrials |
| Gastritis; Stomach Ulcer | Phase 4 | ClinicalTrials |
| Dyspepsia; Peptic Ulcer | Phase 4 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67-45-8 |
| ChEMBL | CHEMBL1103 |
| DrugBank | DB00614 |
| EPA CompTox | DTXSID4041997 |
| FDA SRS | 5J9CPU3RE0 |
| Human Metabolome Database | HMDB0014752 |
| KEGG | C07999 |
| PubChem | 5323714 |
| SureChEMBL | SCHEMBL64996 |
| ZINC | ZINC000000113418 |
CONTENTS