Trade Names: | |
Synonyms: | |
Status: | Approved (2014) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | L01ED02 |
UNII: | K418KG2GET |
InChI Key | VERWOWGGCGHDQE-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C28H36ClN5O3S |
Molecular Weight | 558.15 |
AlogP | 6.36 |
Hydrogen Bond Acceptor | 8.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 105.24 |
Molecular species | BASE |
Aromatic Rings | 3.0 |
Heavy Atoms | 38.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | ALK tyrosine kinase receptor inhibitor | FDA |
Primary Target | |
---|---|
ALK receptor tyrosine kinase |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Carcinoma, Non-Small-Cell Lung | 4 | D002289 | ClinicalTrials |
Neoplasms | 4 | D009369 | ClinicalTrials |
Sarcoma | 3 | D012509 | ClinicalTrials |
Neuroblastoma | 2 | D009447 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
Thyroid Neoplasms | 2 | D013964 | ClinicalTrials |
Granuloma, Plasma Cell | 2 | D006104 | ClinicalTrials |
Lymphoma, Large-Cell, Anaplastic | 2 | D017728 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Glioblastoma | 2 | D005909 | ClinicalTrials |
Liver Diseases | 1 | D008107 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 1032900-25-6 |
ChEBI | 78432 |
ChEMBL | CHEMBL2403108 |
DrugBank | DB09063 |
DrugCentral | 4866 |
EPA CompTox | DTXSID10725373 |
FDA SRS | K418KG2GET |
Guide to Pharmacology | 7397 |
PDB | 4MK |
PubChem | 57379345 |
SureChEMBL | SCHEMBL1014329 |
ZINC | ZINC000096272772 |