Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 9KD24QGH76 |
InChI Key | OUKYUETWWIPKQR-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C27H32ClN5O5 |
Molecular Weight | 542.04 |
AlogP | 3.94 |
Hydrogen Bond Acceptor | 10.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 8.0 |
Polar Surface Area | 90.44 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 38.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Tyrosine-protein kinase ABL inhibitor | PubMed |
Primary Target | |
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ABL proto-oncogene 1, non-receptor tyrosine kinase | |
LCK proto-oncogene, Src family tyrosine kinase | |
SRC proto-oncogene, non-receptor tyrosine kinase | |
YES proto-oncogene 1, Src family tyrosine kinase |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Colonic Neoplasms | 2 | D003110 | ClinicalTrials |
Myositis Ossificans | 2 | D009221 | ClinicalTrials |
Lymphangioleiomyomatosis | 2 | D018192 | ClinicalTrials |
Neoplasms | 2 | D009369 | ClinicalTrials |
Breast Neoplasms, Male | 2 | D018567 | ClinicalTrials |
Neoplasms | 2 | D009369 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Alcohol Drinking | 2 | D000428 | ClinicalTrials |
Alzheimer Disease | 2 | D000544 | ClinicalTrials |
Osteosarcoma | 2 | D012516 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
Thymoma | 2 | D013945 | ClinicalTrials |
Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
Rectal Neoplasms | 2 | D012004 | ClinicalTrials |
Fallopian Tube Neoplasms | 2 | D005185 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
Breast Neoplasms | 1 | D001943 | ClinicalTrials |
Alcoholism | 1 | D000437 | ClinicalTrials |
Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 379231-04-6 |
ChEMBL | CHEMBL217092 |
DrugBank | DB11805 |
EPA CompTox | DTXSID90191355 |
FDA SRS | 9KD24QGH76 |
Guide to Pharmacology | 7731 |
PDB | H8H |
PubChem | 10302451 |
SureChEMBL | SCHEMBL41547 |
ZINC | ZINC000024811973 |