| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1965) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 57U5YI11WP |
Structure
| InChI Key | SKPLBLUECSEIFO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12ClNO4 |
| Molecular Weight | 245.66 |
| AlogP | 1.17 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 81.78 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 2.078 | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 47 | |
|
Enzyme
Transferase
|
- | - | - | - | 3.103 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -0.03-47.11 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 886-74-8 |
| ChEBI | 3643 |
| ChEMBL | CHEMBL607710 |
| DrugBank | DB14656 |
| DrugCentral | 614 |
| EPA CompTox | DTXSID5022803 |
| FDA SRS | 57U5YI11WP |
| KEGG | C07930 |
| PubChem | 2724 |
| SureChEMBL | SCHEMBL34492 |
CONTENTS