| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 8VLB51V7HO |
| EPA CompTox | DTXSID70241403 |
| InChI Key | QTBWCSQGBMPECM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C30H33N7O |
| Molecular Weight | 507.64 |
| AlogP | 5.94 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 82.08 |
| Molecular species | BASE |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 38.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Serine/threonine-protein kinase Aurora-B inhibitor | INHIBITOR | PubMed PubMed |
| Serine/threonine-protein kinase Aurora-C inhibitor | INHIBITOR | PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
CAMK protein kinase group
CAMK protein kinase CAMK1 family
CAMK protein kinase QIK subfamily
|
- | 70 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
Other protein kinase group
Other protein kinase AUR family
|
- | 3.162-32 | - | 0.38-492 | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase FGFR family
|
- | 76 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Tie family
|
- | 59 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase VEGFR family
|
- | 42-74 | - | - | - | |
|
Other nuclear protein
|
- | 3.162-3.2 | - | 0.38-1.5 | - | |
|
Unclassified protein
|
- | - | - | 490 | - |
|
Protein: Serine/threonine-protein kinase Aurora-B Description: Aurora kinase B Organism : Homo sapiens Q96GD4 ENSG00000178999 |
||||
|
Protein: Serine/threonine-protein kinase Aurora-C Description: Aurora kinase C Organism : Homo sapiens Q9UQB9 ENSG00000105146 |
||||
| Resources | Reference |
|---|---|
| CAS NUMBER | 942918-07-2 |
| ChEBI | 91362 |
| ChEMBL | CHEMBL1090479 |
| FDA SRS | 8VLB51V7HO |
| Guide to Pharmacology | 8358 |
| PubChem | 46885626 |
| SureChEMBL | SCHEMBL4305006 |
| ZINC | ZINC000043170519 |