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 |