| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 6466NM3W93 |
Structure
| InChI Key | NHZMQXZHNVQTQA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.2 |
| AlogP | 0.05 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 79.37 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 37.34 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -2.27-7.4 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetic Nephropathies | 2 | D003928 | ClinicalTrials |
| Kidney Calculi | 2 | D007669 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85-87-0 |
| ChEBI | 16410 |
| ChEMBL | CHEMBL593019 |
| DrugBank | DB11673 |
| EPA CompTox | DTXSID6046929 |
| FDA SRS | 6466NM3W93 |
| Human Metabolome Database | HMDB01431 |
| KEGG | C00534 |
| PDB | PXM |
| PubChem | 11205997 |
| SureChEMBL | SCHEMBL30408 |
| ZINC | ZINC000034926229 |
CONTENTS