| Synonyms: | |
| Status: | Approved (2018) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01EX12 |
| UNII: | PF9462I9HX |
Structure
| InChI Key | NYNZQNWKBKUAII-KBXCAEBGSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H22F2N6O2 |
| Molecular Weight | 428.44 |
| AlogP | 2.95 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.0 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Trk family
|
- | 1-69 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Glioma | 0 | D005910 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1223403-58-4 |
| ChEMBL | CHEMBL3889654 |
| DrugBank | DB14723 |
| DrugCentral | 5305 |
| FDA SRS | PF9462I9HX |
| Guide to Pharmacology | 8909 |
| PubChem | 46188928 |
| SureChEMBL | SCHEMBL2241012 |
| ZINC | ZINC000118399834 |
CONTENTS