| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2014) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D01AE24 |
| UNII: | K124A4EUQ3 |
Structure
| InChI Key | LFQDNHWZDQTITF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6BFO2 |
| Molecular Weight | 151.93 |
| AlogP | None |
| Hydrogen Bond Acceptor | None |
| Hydrogen Bond Donor | None |
| Number of Rotational Bond | None |
| Polar Surface Area | None |
| Molecular species | None |
| Aromatic Rings | None |
| Heavy Atoms | None |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Leucine-tRNA ligase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Ligase
|
- | 2100 | 20800 | 1850-31400 | - | |
|
Enzyme
Lyase
|
- | - | - | 462-462 | - | |
|
Enzyme
Transferase
|
- | - | - | - | 12.62 | |
|
Enzyme
|
- | 2100 | 20800 | 1850-31400 | 12.62 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -5.62--2 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Onychomycosis | 4 | D014009 | ClinicalTrials |
Adverse Reactions
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 174671-46-6 |
| ChEBI | 77942 |
| ChEMBL | CHEMBL443052 |
| DrugBank | DB09041 |
| DrugCentral | 4877 |
| EPA CompTox | DTXSID00169888 |
| FDA SRS | K124A4EUQ3 |
| KEGG | D10169 |
| PubChem | 11499245 |
| SureChEMBL | SCHEMBL500016 |
| ZINC | ZINC000169990691 |
CONTENTS