| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2018) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01XX62 |
| UNII: | Q2PCN8MAM6 |
Structure
| InChI Key | WIJZXSAJMHAVGX-DHLKQENFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C28H22ClF3N6O3 |
| Molecular Weight | 582.97 |
| AlogP | 4.32 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 119.29 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 41.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor | FDA |
| Primary Target | |
|---|---|
| isocitrate dehydrogenase (NADP(+)) 1 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 4-25 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia, Myeloid, Acute | 4 | D015470 | FDA |
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Cholangiocarcinoma | 3 | D018281 | ClinicalTrials |
| Chondrosarcoma | 2 | D002813 | ClinicalTrials |
| Glioma | 2 | D005910 | ClinicalTrials |
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1448347-49-6 |
| ChEBI | 145430 |
| ChEMBL | CHEMBL3989958 |
| DrugBank | DB14568 |
| DrugCentral | 5292 |
| FDA SRS | Q2PCN8MAM6 |
| Guide to Pharmacology | 9217 |
| PubChem | 71657455 |
| SureChEMBL | SCHEMBL15122512 |
| ZINC | ZINC000205136523 |
CONTENTS