| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 9TZH4WY30J |
Structure
| InChI Key | GMPKIPWJBDOURN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | CH5NO |
| Molecular Weight | 47.06 |
| AlogP | -0.49 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 35.25 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 3.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -16.65--2.78 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Carcinoma, Large Cell | 2 | D018287 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67-62-9 |
| ChEBI | 192842 |
| ChEMBL | CHEMBL1213633 |
| DrugBank | DB06328 |
| EPA CompTox | DTXSID8043862 |
| FDA SRS | 9TZH4WY30J |
| PubChem | 4113 |
| SureChEMBL | SCHEMBL567 |
CONTENTS