| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 817L1N4CKP |
Structure
| InChI Key | BJEPYKJPYRNKOW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6O5 |
| Molecular Weight | 134.09 |
| AlogP | -1.09 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 94.83 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 9.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 7 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 3.05-16.69 |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Xerostomia | Phase 2/Phase 3 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6915-15-7 |
| ChEBI | 6650 |
| ChEMBL | CHEMBL1455497 |
| DrugBank | DB12751 |
| EPA CompTox | DTXSID0027640 |
| FDA SRS | 817L1N4CKP |
| Human Metabolome Database | HMDB00744 |
| Guide to Pharmacology | 2480 |
| KEGG | C00711 |
| PubChem | 525 |
| SureChEMBL | SCHEMBL856 |
CONTENTS