| Synonyms: | |
| Status: | Approved (2017) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | J01MA23 |
| UNII: | 6315412YVF |
Structure
| InChI Key | DYDCPNMLZGFQTM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H12ClF3N4O4 |
| Molecular Weight | 440.77 |
| AlogP | 1.92 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 121.68 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | - | - | - | 19 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Bacterial Infections | 4 | D001424 | ClinicalTrials |
| Gonorrhea | 3 | D006069 | ClinicalTrials |
| Pneumonia, Bacterial | 3 | D018410 | ClinicalTrials |
| Infections | 3 | D007239 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
| Pneumonia | 1 | D011014 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 189279-58-1 |
| ChEMBL | CHEMBL2105637 |
| DrugBank | DB11943 |
| DrugCentral | 5238 |
| EPA CompTox | DTXSID40172331 |
| FDA SRS | 6315412YVF |
| Guide to Pharmacology | 10799 |
| PubChem | 487101 |
| SureChEMBL | SCHEMBL294694 |
| ZINC | ZINC000003827556 |
CONTENTS