Compound Detail
CHEMBL2407898
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COc1ccc2c(c1)/C(=C\c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL2407898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPAQROHCJDLJNE-JBFZHCRBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
5.30
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 | IC50 | = | 0.32 | nM | 9.49 | Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed ... | 23829549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23829549 | 10.1021/jm400380m | HCC1954 | 1 |
| 23829549 | 10.1021/jm400380m | SK-BR-3 | 1 |
| 23829549 | 10.1021/jm400380m | MDA-MB-231 | 1 |
| 23829549 | 10.1021/jm400380m | MDA-MB-468 | 1 |
| 23829549 | 10.1021/jm400380m | MCF7 | 1 |
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK3 | 1 |
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK2 | 1 |
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK1 | 1 |
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK4 | 1 |
Data from ChEMBL 36 via Core Engine