| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02BA11 |
| UNII: | 7C546U4DEN |
Structure
| InChI Key | HUPFGZXOMWLGNK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8F2O3 |
| Molecular Weight | 250.2 |
| AlogP | 3.04 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 57.53 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | 13500 | - | 2560 | - | |
|
Enzyme
Oxidoreductase
|
- | - | - | 34000 | - | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 13 | |
|
Secreted protein
|
5600 | 6300-25000 | 75-5600 | - | 98 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 201 |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
| Amyloid Neuropathies, Familial | 2 | D028227 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22494-42-4 |
| ChEBI | 39669 |
| ChEMBL | CHEMBL898 |
| DrugBank | DB00861 |
| DrugCentral | 880 |
| EPA CompTox | DTXSID5022932 |
| FDA SRS | 7C546U4DEN |
| Human Metabolome Database | HMDB0014999 |
| Guide to Pharmacology | 7162 |
| KEGG | C01691 |
| PDB | 1FL |
| PharmGKB | PA449313 |
| PubChem | 3059 |
| SureChEMBL | SCHEMBL4337 |
| ZINC | ZINC000000020243 |
CONTENTS