| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2014) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01XH04 |
| UNII: | F4H96P17NZ |
Structure
| InChI Key | NCNRHFGMJRPRSK-MDZDMXLPSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H14N2O4S |
| Molecular Weight | 318.35 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 95.5 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Histone deacetylase inhibitor | FDA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 3100-11200 | - | - | 97 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class I
|
30 | 1-63 | - | 1-22 | 79 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIa
|
30 | 10-87 | - | 15-380 | 20 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
30 | 10-6432 | - | 2-10 | - | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IV
|
30 | 10-87 | - | 27 | - | |
|
Epigenetic regulator
Reader
Bromodomain
|
- | 27 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | - | - | - | 18 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 4 | D016411 | ClinicalTrials |
| Mesothelioma | 2 | D008654 | ClinicalTrials |
| Myelodysplastic Syndromes | 2 | D009190 | ClinicalTrials |
| Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
| Carcinoma, Endometrioid | 2 | D018269 | ClinicalTrials |
| Lymphoma, Large-Cell, Anaplastic | 2 | D017728 | ClinicalTrials |
| Thymoma | 2 | D013945 | ClinicalTrials |
| Thymoma | 2 | D013945 | ClinicalTrials |
| Cystadenoma, Serous | 2 | D018293 | ClinicalTrials |
| Peritoneal Neoplasms | 2 | D010534 | ClinicalTrials |
| Fallopian Tube Neoplasms | 2 | D005185 | ClinicalTrials |
| Leukemia-Lymphoma, Adult T-Cell | 2 | D015459 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 2 | D008228 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 2 | D015470 | ClinicalTrials |
| Burkitt Lymphoma | 2 | D002051 | ClinicalTrials |
| Carcinoma | 2 | D002277 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Multiple Myeloma | 2 | D009101 | ClinicalTrials |
| Lymphoma, T-Cell, Cutaneous | 2 | D016410 | ClinicalTrials |
| Carcinoma, Hepatocellular | 1 | D006528 | ClinicalTrials |
| Blast Crisis | 1 | D001752 | ClinicalTrials |
| Sarcoma | 1 | D012509 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Small Cell Lung Carcinoma | 1 | D055752 | ClinicalTrials |
| Mycosis Fungoides | 1 | D009182 | ClinicalTrials |
| Hematologic Neoplasms | 1 | D019337 | ClinicalTrials |
| Adenocarcinoma | 1 | D000230 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
| Lymphoma, Follicular | 1 | D008224 | ClinicalTrials |
| Hodgkin Disease | 1 | D006689 | ClinicalTrials |
Related Entries
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 866323-14-0 |
| ChEBI | 61076 |
| ChEMBL | CHEMBL408513 |
| DrugBank | DB05015 |
| EPA CompTox | DTXSID60194378 |
| FDA SRS | F4H96P17NZ |
| Guide to Pharmacology | 7496 |
| KEGG | D08870 |
| PDB | 5OG |
| PubChem | 6918638 |
| SureChEMBL | SCHEMBL375656 |
| ZINC | ZINC000003818726 |
CONTENTS