| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2019) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | J04AK08 |
| UNII: | 2XOI31YC4N |
Structure
| InChI Key | ZLHZLMOSPGACSZ-NSHDSACASA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12F3N3O5 |
| Molecular Weight | 359.26 |
| AlogP | 2.67 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 88.65 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -1.75--0.58 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tuberculosis, Pulmonary | 4 | D014397 | ClinicalTrials |
| Tuberculosis, Multidrug-Resistant | 4 | D018088 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 187235-37-6 |
| ChEMBL | CHEMBL227875 |
| DrugBank | DB05154 |
| DrugCentral | 5344 |
| EPA CompTox | DTXSID8041163 |
| FDA SRS | 2XOI31YC4N |
| Guide to Pharmacology | 11172 |
| PubChem | 456199 |
| SureChEMBL | SCHEMBL2983011 |
| ZINC | ZINC000003821675 |
CONTENTS