Trade Names: | |
Synonyms: | |
Status: | Approved (1958) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | G01AX06 |
UNII: | 5J9CPU3RE0 |
InChI Key | PLHJDBGFXBMTGZ-WEVVVXLNSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
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 |
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 |