Compound Detail
CHEMBL609040
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Basic Information
| ChEMBL ID | CHEMBL609040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVACCXPNQSWBBB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
279.2
MW (Da)
2.99
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.67 | 5.67 | 2140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.45 | 4.45 | 35335.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of CDK2 | 20097066 |
| Cyclin-dependent kinase 1 | IC50 | = | 214.0 | nM | 6.67 | Inhibition of CDC2 | 20097066 |
| Cyclin-dependent kinase 4 | IC50 | = | 1420.0 | nM | 5.85 | Inhibition of CDK4 | 20097066 |
| Aurora kinase A | IC50 | = | 2140.0 | nM | 5.67 | Inhibition of AUR2 | 20097066 |
| Unchecked | IC50 | = | 35335.0 | nM | 4.45 | Inhibition of MAPK | 20097066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20097066 | 10.1016/j.bmcl.2010.01.007 | Cyclin-dependent kinase 2 | 2 |
| 20097066 | 10.1016/j.bmcl.2010.01.007 | Cyclin-dependent kinase 1 | 1 |
| 20097066 | 10.1016/j.bmcl.2010.01.007 | Cyclin-dependent kinase 4 | 1 |
| 20097066 | 10.1016/j.bmcl.2010.01.007 | Aurora kinase A | 1 |
| 20097066 | 10.1016/j.bmcl.2010.01.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine