| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Salt-form |
| UNII | P9YY73LO6J |
| EPA CompTox | DTXSID10154841 |
| Parent Compound: |
Structure
| InChI Key | GYABBVHSRIHYJR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H35ClN4O2 |
| Molecular Weight | 519.09 |
| AlogP | 4.77 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 72.36 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Mechanism of Action | Action | Reference |
|---|---|---|
| ALK tyrosine kinase receptor inhibitor | INHIBITOR | FDA |
Target Conservation
|
Protein: Tyrosine-protein kinase receptor RET Description: Proto-oncogene tyrosine-protein kinase receptor Ret Organism : Homo sapiens P07949 ENSG00000165731 |
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Protein: EML4-ALK Description: Echinoderm microtubule-associated protein-like 4 Organism : Homo sapiens Q9HC35 ENSG00000143924 |
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Protein: ALK tyrosine kinase receptor Description: ALK tyrosine kinase receptor Organism : Homo sapiens Q9UM73 ENSG00000171094 |
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Protein: EML4-ALK Description: ALK tyrosine kinase receptor Organism : Homo sapiens Q9UM73 ENSG00000171094 |
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Cross References
| Resources | Reference |
|---|---|
| ChEBI | 62268 |
| ChEMBL | CHEMBL3707320 |
| FDA SRS | P9YY73LO6J |
| PubChem | 53239799 |
| SureChEMBL | SCHEMBL14991271 |
CONTENTS
