| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | U78ZX2F65X |
Structure
| InChI Key | UZFMOKQJFYMBGY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18NO2 |
| Molecular Weight | 172.25 |
| AlogP | 1.35 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 43.37 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -7.22-26.4 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Alopecia | 2 | D000505 | ClinicalTrials |
| Cardiovascular Diseases | 1 | D002318 | ClinicalTrials |
| Anus Neoplasms | 1 | D001005 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2226-96-2 |
| ChEBI | 180664 |
| ChEMBL | CHEMBL607023 |
| DrugBank | DB12449 |
| EPA CompTox | DTXSID4041280 |
| FDA SRS | U78ZX2F65X |
| PubChem | 137994 |
| SureChEMBL | SCHEMBL23234 |
| ZINC | ZINC000100004133 |
CONTENTS