| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2002) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A16AX04 |
| UNII: | K5BN214699 |
Structure
| InChI Key | OUBCNLGXQFSTLU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10F3NO5 |
| Molecular Weight | 329.23 |
| AlogP | 2.73 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 94.35 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | 4-hydroxyphenylpyruvate dioxygenase inhibitor | FDA |
| Primary Target | |
|---|---|
| 4-hydroxyphenylpyruvate dioxygenase |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 40-40 | - | 37 | 50 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Alkaptonuria | 3 | D000474 | ClinicalTrials |
| Tyrosinemias | 3 | D020176 | ClinicalTrials |
| Albinism | 1 | D000417 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 104206-65-7 |
| ChEBI | 50378 |
| ChEMBL | CHEMBL1337 |
| DrugBank | DB00348 |
| DrugCentral | 1944 |
| EPA CompTox | DTXSID9042673 |
| FDA SRS | K5BN214699 |
| Human Metabolome Database | HMDB0014492 |
| Guide to Pharmacology | 6834 |
| KEGG | D05177 |
| PharmGKB | PA164777037 |
| PubChem | 115355 |
| SureChEMBL | SCHEMBL338795 |
| ZINC | ZINC000100014475 |
CONTENTS