| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | AJ212MS2O2 |
Structure
| InChI Key | GKMLFBRLRVQVJO-ZDUSSCGKSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H19F3N4O3 |
| Molecular Weight | 396.37 |
| AlogP | 3.76 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 97.11 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ACTIVATOR | Hexokinase type IV activator | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
190-6900 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1215197-37-7 |
| ChEMBL | CHEMBL2165620 |
| DrugBank | DB11765 |
| FDA SRS | AJ212MS2O2 |
| PDB | 0H6 |
| PubChem | 46181428 |
| SureChEMBL | SCHEMBL1711504 |
| ZINC | ZINC000068250431 |
CONTENTS