| Synonyms: | |
| Status: | Approved (2022) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 0T4IMT8S5Z |
Structure
| InChI Key | NEQYWYXGTJDAKR-JTQLQIEISA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H15ClN4O2 |
| Molecular Weight | 354.8 |
| AlogP | 2.92 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 90.68 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 6-22400 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4297610 |
| DrugBank | DB16267 |
| FDA SRS | 0T4IMT8S5Z |
| Guide to Pharmacology | 10319 |
| PDB | PWV |
| SureChEMBL | SCHEMBL17603134 |
CONTENTS