Compound Detail
CHEMBL563150
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Basic Information
| ChEMBL ID | CHEMBL563150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRZQAXBLQMWLAF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.97
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.24 | 6.24 | 574.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.24 | 6.24 | 574.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 574.0 | nM | 6.24 | Inhibition of CDK2/Cyclin A | 19603809 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 574.0 | nM | 6.24 | Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substr... | 20397705 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 574.0 | nM | 6.24 | Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into subst... | 21723120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19603809 | 10.1021/jm9006559 | Cyclin-dependent kinase 2 | 1 |
| 19603809 | 10.1021/jm9006559 | Aurora kinase A | 1 |
| 19603809 | 10.1021/jm9006559 | A2780 | 1 |
| 19603809 | 10.1021/jm9006559 | No relevant target | 1 |
| 20397705 | 10.1021/jm901713n | Cyclin-dependent kinase 2/cyclin A | 1 |
| 20397705 | 10.1021/jm901713n | Serine/threonine-protein kinase PLK1 | 1 |
| 20397705 | 10.1021/jm901713n | Aurora kinase A | 1 |
| 20397705 | 10.1021/jm901713n | A2780 | 1 |
| 21723120 | 10.1016/j.bmcl.2011.05.122 | Dual specificity protein kinase TTK | 1 |
| 21723120 | 10.1016/j.bmcl.2011.05.122 | Aurora kinase A | 1 |
| 21723120 | 10.1016/j.bmcl.2011.05.122 | Serine/threonine-protein kinase PLK1 | 1 |
| 21723120 | 10.1016/j.bmcl.2011.05.122 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine