| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 2F399MM81J |
Structure
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4O5 |
| Molecular Weight | 132.07 |
| AlogP | -0.89 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 91.67 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 9.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 13.51 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -19.04-11.24 | |
|
Epigenetic regulator
Eraser
Lysine demethylase
Jumonji domain-containing
|
- | 900000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Breast Carcinoma In Situ | 2 | D000071960 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Glioma | 1 | D005910 | ClinicalTrials |
| Amyotrophic Lateral Sclerosis | 1 | D000690 | ClinicalTrials |
| Myasthenia Gravis | 1 | D009157 | ClinicalTrials |
| Alzheimer Disease | 1 | D000544 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 30744 |
| ChEMBL | CHEMBL1794791 |
| EPA CompTox | DTXSID8021646 |
| FDA SRS | 2F399MM81J |
| Human Metabolome Database | HMDB0000223 |
| Guide to Pharmacology | 5236 |
| KEGG | C00036 |
| SureChEMBL | SCHEMBL8464 |
| ZINC | ZINC000001532521 |
CONTENTS