Compound Detail
CHEMBL402272
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Basic Information
| ChEMBL ID | CHEMBL402272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMVMPEYKBFJPAD-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
0.34
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.66 | 6.66 | 219.0 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 5.95 | 5.95 | 1131.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.82 | 5.7867 | 1530.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human Cdc7 | 18201066 |
| Cell division cycle 7-related protein kinase | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human Cdc7 assessed as inhibition of rate of phosphorylation of Mc... | 19115845 |
| Cyclin-dependent kinase 9 | IC50 | = | 29.0 | nM | 7.54 | Inhibition of CDK9 | 19115845 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 219.0 | nM | 6.66 | Inhibition of CDK2/cyclin A | 22154349 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 1131.0 | nM | 5.95 | Inhibition of PLK1 | 22154349 |
| A2780 | IC50 | = | 1530.0 | nM | 5.82 | Antiproliferative activity against human A2780 cells | 22154349 |
| A2780 | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human A2780 cells after 72 hrs | 18201066 |
| A2780 | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human A2780 cells after 72 hrs by luciferase ... | 19115845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18201066 | 10.1021/jm700956r | Cell division cycle 7-related protein kinase | 1 |
| 18201066 | 10.1021/jm700956r | A2780 | 1 |
| 19115845 | 10.1021/jm800977q | Cell division cycle 7-related protein kinase | 1 |
| 19115845 | 10.1021/jm800977q | A2780 | 1 |
| 19115845 | 10.1021/jm800977q | Cyclin-dependent kinase 9 | 1 |
| 22154349 | 10.1016/j.bmcl.2011.11.065 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 22154349 | 10.1016/j.bmcl.2011.11.065 | Serine/threonine-protein kinase PLK1 | 1 |
| 22154349 | 10.1016/j.bmcl.2011.11.065 | A2780 | 1 |
| 22154349 | 10.1016/j.bmcl.2011.11.065 | Aurora kinase A | 1 |
| 22154349 | 10.1016/j.bmcl.2011.11.065 | Serine/threonine-protein kinase PLK2 | 1 |
| 22154349 | 10.1016/j.bmcl.2011.11.065 | Serine/threonine-protein kinase PLK3 | 1 |
Data from ChEMBL 36 via Core Engine