| Synonyms: | |
| Status: | Approved (2015) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 7352665165 |
Structure
| InChI Key | NDCUAPJVLWFHHB-UHNVWZDZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N3O6S |
| Molecular Weight | 265.25 |
| AlogP | -1.53 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 130.24 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 100-923 | - | 11 | 50 | |
|
Enzyme
Transferase
|
- | - | - | - | 12.38 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -50.54-3.49 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Infections | 3 | D007239 | ClinicalTrials |
| Pneumonia | 3 | D011014 | ClinicalTrials |
| Bacterial Infections | 3 | D001424 | ClinicalTrials |
| Pyelonephritis | 3 | D011704 | ClinicalTrials |
| Urinary Tract Infections | 2 | D014552 | ClinicalTrials |
| Gram-Negative Bacterial Infections | 2 | D016905 | ClinicalTrials |
| Renal Insufficiency | 1 | D051437 | ClinicalTrials |
| Systemic Inflammatory Response Syndrome | 1 | D018746 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1192500-31-4 |
| ChEBI | 85984 |
| ChEMBL | CHEMBL1689063 |
| DrugBank | DB09060 |
| DrugCentral | 4946 |
| FDA SRS | 7352665165 |
| Guide to Pharmacology | 10761 |
| PDB | FYG |
| PubChem | 9835049 |
| SureChEMBL | SCHEMBL15942023 |
| ZINC | ZINC000009302239 |
CONTENTS