Compound Detail
CHEMBL5198803
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Fc1ccc(CNc2nc(Nc3n[nH]c4ccc(Cl)cc34)c3cnn(C4CCOCC4)c3n2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5198803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBECBNDKUCTBRN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.9
MW (Da)
5.34
ALogP
8
HBA
3
HBD
105.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 5.5 | 5.5 | 3176.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 | IC50 | = | 3176.0 | nM | 5.5 | Inhibition of recombinant human PLK4 incubated for 60 mins by Lanthascreen Eu ki... | 35576702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35576702 | 10.1016/j.ejmech.2022.114424 | Serine/threonine-protein kinase PLK4 | 1 |
Data from ChEMBL 36 via Core Engine