Synonyms: | |
Status: | Approved (1976) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | M01AE04 |
UNII: | RA33EAC7KY |
InChI Key | RDJGLLICXDHJDY-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C15H14O3 |
Molecular Weight | 242.27 |
AlogP | 3.67 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 46.53 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 18.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 26300 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 160 |
Resources | Reference |
---|---|
ChEBI | 5004 |
ChEMBL | CHEMBL1297 |
DrugBank | DB00573 |
DrugCentral | 1154 |
EPA CompTox | DTXSID9023045 |
FDA SRS | RA33EAC7KY |
Human Metabolome Database | HMDB0014713 |
Guide to Pharmacology | 4820 |
KEGG | C06997 |
PharmGKB | PA449597 |
PubChem | 3342 |
SureChEMBL | SCHEMBL3797 |