| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 0NIZ8H6OL8 |
Structure
| InChI Key | UCKYOOZPSJFJIZ-FMDGEEDCSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16N2O6 |
| Molecular Weight | 248.24 |
| AlogP | -2.84 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 122.49 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 113-340 | - | 100-440000 | - | |
|
Enzyme
Transferase
|
- | - | - | - | 13.17 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -5.63-15.87 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 1 | D008228 | ClinicalTrials |
| Lymphoma, Follicular | 1 | D008224 | ClinicalTrials |
| Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18771-50-1 |
| ChEMBL | CHEMBL1236475 |
| FDA SRS | 0NIZ8H6OL8 |
| PDB | TYU |
| PubChem | 9543506 |
| SureChEMBL | SCHEMBL172272 |
| ZINC | ZINC000001703948 |
CONTENTS