Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 3A71182L8P |
InChI Key | FNDDDNOJWPQCBZ-ZDUSSCGKSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H20FN3O3S |
Molecular Weight | 353.42 |
AlogP | 1.84 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 61.88 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 24.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 13000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Tuberculosis | 2 | D014376 | ClinicalTrials |
Tuberculosis, Pulmonary | 2 | D014397 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 168828-58-8 |
ChEMBL | CHEMBL288149 |
DrugBank | DB11905 |
EPA CompTox | DTXSID20168611 |
FDA SRS | 3A71182L8P |
PDB | 9EN |
PubChem | 465951 |
SureChEMBL | SCHEMBL2152517 |
ZINC | ZINC000003810825 |