| Trade Names: | |
| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A06AD16 |
| UNII: | 3OWL53L36A |
| InChI Key | FBPFZTCFMRRESA-KVTDHHQDSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O6 |
| Molecular Weight | 182.17 |
| AlogP | -3.59 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 121.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 29 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Constipation | 4 | D003248 | ClinicalTrials |
| Brain Edema | 4 | D001929 | ClinicalTrials |
| Asthma | 4 | D001249 | ClinicalTrials |
| Cystic Fibrosis | 4 | D003550 | ClinicalTrials |
| Shock, Septic | 3 | D012772 | ClinicalTrials |
| Fetal Hypoxia | 3 | D005311 | ClinicalTrials |
| Intracranial Hypertension | 3 | D019586 | ClinicalTrials |
| Ciguatera Poisoning | 3 | D036841 | ClinicalTrials |
| Respiratory Sounds | 3 | D012135 | ClinicalTrials |
| Brain Injuries | 3 | D001930 | ClinicalTrials |
| Kidney Neoplasms | 3 | D007680 | ClinicalTrials |
| Hernias, Diaphragmatic, Congenital | 3 | D065630 | ClinicalTrials |
| Coronary Disease | 3 | D003327 | ClinicalTrials |
| Malaria | 3 | D008288 | ClinicalTrials |
| Bronchiectasis | 3 | D001987 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Hypotension | 2 | D007022 | ClinicalTrials |
| Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
| Pulpitis | 2 | D011671 | ClinicalTrials |
| Sleep Apnea, Obstructive | 2 | D020181 | ClinicalTrials |
| Osteoarthritis | 2 | D010003 | ClinicalTrials |
| Oligodendroglioma | 1 | D009837 | ClinicalTrials |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 1 | D015464 | ClinicalTrials |
| Neuralgia, Postherpetic | 1 | D051474 | ClinicalTrials |
| Diabetic Neuropathies | 1 | D003929 | ClinicalTrials |
| Glioblastoma | 1 | D005909 | ClinicalTrials |
| Pain | 1 | D010146 | ClinicalTrials |
| Wounds and Injuries | 1 | D014947 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 1 | D029424 | ClinicalTrials |
| Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
| Brain Neoplasms | 1 | D001932 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 69-65-8 |
| ChEBI | 16899 |
| ChEMBL | CHEMBL689 |
| DrugBank | DB00742 |
| DrugCentral | 935 |
| EPA CompTox | DTXSID30858955 |
| FDA SRS | 3OWL53L36A |
| Human Metabolome Database | HMDB0000765 |
| KEGG | C00392 |
| PDB | MTL |
| PubChem | 6251 |
| SureChEMBL | SCHEMBL919 |
| ZINC | ZINC000002041302 |