| Synonyms: | |
| Status: | Approved (2024) |
| Entry Type: | Small molecule |
| Molecule Category: | Free-form |
| UNII: | 789Q85GA8P |
Structure
| InChI Key | QCZAWDGAVJMPTA-RNFRBKRXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H13ClF6N6 |
| Molecular Weight | 414.74 |
| AlogP | 4.31 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 75.62 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | IDH1/IDH2 inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 0-0 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Glioma | 3 | D005910 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4279047 |
| FDA SRS | 789Q85GA8P |
| Guide to Pharmacology | 10663 |
| PDB | 9UO |
| SureChEMBL | SCHEMBL16393139 |
CONTENTS