| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 537E7QE8LX |
Structure
| InChI Key | UJEAABFSXKCSGI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H16BrFN6O4 |
| Molecular Weight | 467.26 |
| AlogP | 2.36 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 119.4 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 3-68 | - | - | - | |
|
Enzyme
|
- | 1-1070 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1030612-90-8 |
| ChEMBL | CHEMBL1938870 |
| DrugBank | DB13024 |
| EPA CompTox | DTXSID80145625 |
| FDA SRS | 537E7QE8LX |
| PubChem | 24988881 |
| SureChEMBL | SCHEMBL472978 |
| ZINC | ZINC000043195878 |
CONTENTS