| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 268B43MJ25 |
Structure
| InChI Key | LEHOTFFKMJEONL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H4N4O3 |
| Molecular Weight | 168.11 |
| AlogP | -0.53 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 115.15 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 4340 | - | |
|
Enzyme
Transferase
|
- | - | - | - | 13.02 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 2.57-12.1 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC02 family of hexose and sugar alcohol transporters
|
300000 | - | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | 275000 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Ischemic Stroke | 2 | D000083242 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 69-93-2 |
| ChEBI | 17775 |
| ChEMBL | CHEMBL792 |
| DrugBank | DB01696 |
| EPA CompTox | DTXSID3042508 |
| FDA SRS | 268B43MJ25 |
| Human Metabolome Database | HMDB00289 |
| Guide to Pharmacology | 4731 |
| KEGG | C00366 |
| PDB | URC |
| PubChem | 1175 |
| SureChEMBL | SCHEMBL2786719 |
| ZINC | ZINC000002041003 |
CONTENTS