Compound Detail
CHEMBL1096028
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CC(=O)c1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
Basic Information
| ChEMBL ID | CHEMBL1096028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNGFMEOSJHFCLA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
1.77
ALogP
9
HBA
2
HBD
122.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.33 | 6.33 | 464.0 | 1 |
| Serine/threonine-protein kinase PLK3 CHEMBL4897 | IC50 | 5.64 | 5.64 | 2292.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 464.0 | nM | 6.33 | Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamm... | 20397705 |
| Serine/threonine-protein kinase PLK3 | IC50 | = | 2292.0 | nM | 5.64 | Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after... | 20397705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20397705 | 10.1021/jm901713n | Serine/threonine-protein kinase PLK1 | 1 |
| 20397705 | 10.1021/jm901713n | Serine/threonine-protein kinase PLK3 | 1 |
| 20397705 | 10.1021/jm901713n | No relevant target | 1 |
| 20397705 | 10.1021/jm901713n | Serine/threonine-protein kinase PLK2 | 1 |
| 20397705 | 10.1021/jm901713n | Cyclin-dependent kinase 2/cyclin A | 1 |
| 20397705 | 10.1021/jm901713n | Aurora kinase A | 1 |
| 20397705 | 10.1021/jm901713n | A2780 | 1 |
Data from ChEMBL 36 via Core Engine