Compound Detail
CHEMBL2407902
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CN1CCN(Cc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)CNC(=O)[C@@H]2CCCN2C3)CC1
Basic Information
| ChEMBL ID | CHEMBL2407902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNKVVVDXLWUPRE-MHZLTWQESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
3.23
ALogP
7
HBA
2
HBD
76.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of PLK4 (unknown origin) | 38199166 |
| Serine/threonine-protein kinase PLK4 | Ki | = | 100.0 | nM | 7.0 | Inhibition of human PLK4 | 23829549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK4 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | Serine/threonine-protein kinase PLK4 | 1 |
Data from ChEMBL 36 via Core Engine