| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 952VN06WBB |
Structure
| InChI Key | ZWJINEZUASEZBH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.24 |
| AlogP | 3.13 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Auxiliary transport protein
Fatty acid binding protein family
|
- | - | - | 50690 | - | |
|
Enzyme
Lyase
|
- | - | - | 1200 | - | |
|
Enzyme
Oxidoreductase
|
- | 440-440 | - | - | - | |
|
Enzyme
|
- | 1500-1520 | - | 1200 | - | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class III
|
- | 68000-68000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 34756 |
| ChEMBL | CHEMBL23832 |
| EPA CompTox | DTXSID6059025 |
| FDA SRS | 952VN06WBB |
| Guide to Pharmacology | 4182 |
| KEGG | C13697 |
| PDB | EHO |
| SureChEMBL | SCHEMBL25828 |
| ZINC | ZINC000000154642 |
CONTENTS