Compound Detail
CHEMBL215803
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Basic Information
| ChEMBL ID | CHEMBL215803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAXKGQZKOJPPEG-OLZOCXBDSA-N |
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
2.91
ALogP
8
HBA
2
HBD
96.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.47 | 8.47 | 3.4 | 2 |
| T98G CHEMBL614775 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.19 | 8.19 | 6.4 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK1 | 16876403 |
| Cyclin-dependent kinase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK1 | 21381769 |
| Cyclin-dependent kinase 2 | IC50 | = | 3.4 | nM | 8.47 | Inhibition of CDK2 | 16876403 |
| Cyclin-dependent kinase 2 | IC50 | = | 3.4 | nM | 8.47 | Inhibition of CDK2 | 21381769 |
| T98G | IC50 | = | 3.6 | nM | 8.44 | Inhibition of E2F transcription activity in T98G cells expressing CDC6 promoter ... | 16876403 |
| Cyclin-dependent kinase 4 | IC50 | = | 6.4 | nM | 8.19 | Inhibition of CDK4 | 16876403 |
| Cyclin-dependent kinase 4 | IC50 | = | 6.4 | nM | 8.19 | Inhibition of CDK4 | 21381769 |
| Cyclin-dependent kinase 6 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of CDK6 | 16876403 |
| Cyclin-dependent kinase 6 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of CDK6 | 21381769 |
| Glycogen synthase kinase-3 beta | IC50 | = | 13.0 | nM | 7.89 | Inhibition of GSK3-beta | 16876403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Mitogen-activated protein kinase 1 | 3 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Tyrosine-protein kinase Blk | 1 |
| 21381769 | 10.1021/jm1012374 | Cyclin-dependent kinase 1 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Vascular endothelial growth factor receptor 2 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Mitogen-activated protein kinase 3 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Tyrosine-protein kinase CSK | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Serine/threonine-protein kinase Chk2 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Serine/threonine-protein kinase Chk1 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Cytoplasmic tyrosine-protein kinase BMX | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Cyclin-dependent kinase 4 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Tyrosine-protein kinase receptor UFO | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Aurora kinase A | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Tyrosine-protein kinase ABL2 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Tyrosine-protein kinase ABL1 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Glycogen synthase kinase-3 beta | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Cyclin-dependent kinase 6 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Cyclin-dependent kinase 2 | 1 |
| 16876403 | 10.1016/j.bmcl.2006.07.026 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine