Trade Names: | |
Synonyms: | |
Status: | Approved (2002) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | R05CA03 |
UNII: | 495W7451VQ |
InChI Key | HSRJKNPTNIJEKV-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H14O4 |
Molecular Weight | 198.22 |
AlogP | 0.43 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 58.92 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 14.0 |
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
|
- | - | - | - | 94 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Sinusitis | 4 | D012852 | ClinicalTrials |
Respiratory Tract Infections | 3 | D012141 | ClinicalTrials |
Infections | 2 | D007239 | ClinicalTrials |
Common Cold | 2 | D003139 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 93-14-1 |
ChEBI | 5551 |
ChEMBL | CHEMBL980 |
DrugBank | DB00874 |
DrugCentral | 1336 |
EPA CompTox | DTXSID5023114 |
FDA SRS | 495W7451VQ |
Human Metabolome Database | HMDB0004998 |
Guide to Pharmacology | 7617 |
PharmGKB | PA449818 |
PubChem | 3516 |
SureChEMBL | SCHEMBL4321 |