Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | A3M1353L40 |
InChI Key | BJDZBXGJNBMCAV-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C20H23F3N4O3S |
Molecular Weight | 456.49 |
AlogP | 4.29 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 79.58 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 31.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C19
|
- | 3770 | - | - | - | |
Enzyme
Oxidoreductase
|
- | 10 | - | - | - | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | - | - | - | 41-42 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Tuberculosis | 2 | D014376 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL3330226 |
DrugBank | DB14821 |
FDA SRS | A3M1353L40 |
PubChem | 57331386 |
SureChEMBL | SCHEMBL6128230 |
ZINC | ZINC000141433347 |