Compound Detail
CHEMBL497167
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
Basic Information
| ChEMBL ID | CHEMBL497167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUYZXRAAIRZUEE-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
7.18
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 207.0 | nM | 6.68 | Inhibition of Plk1 | 18793847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18793847 | 10.1016/j.bmcl.2008.08.095 | Serine/threonine-protein kinase PLK1 | 1 |
| 18793847 | 10.1016/j.bmcl.2008.08.095 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine