Compound Detail
CHEMBL4168834
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
CCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(c2ccn(C)n2)C(CC)C(=O)N3C)cc1
Basic Information
| ChEMBL ID | CHEMBL4168834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMCBJKDUHHIOQB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
2.54
ALogP
9
HBA
2
HBD
125.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK2 CHEMBL5938 | IC50 | 6.72 | 6.72 | 189.6 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.34 | 6.34 | 460.1 | 1 |
| Serine/threonine-protein kinase PLK3 CHEMBL4897 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK2 | IC50 | = | 189.6 | nM | 6.72 | Inhibition human recombinant full length GST-tagged Plk2 expressed in baculoviru... | 29220793 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 460.1 | nM | 6.34 | Inhibition human recombinant full length His-tagged Plk1 expressed in baculoviru... | 29220793 |
| Serine/threonine-protein kinase PLK3 | IC50 | = | 1550.0 | nM | 5.81 | Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residue... | 29220793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29220793 | 10.1016/j.ejmech.2017.11.058 | Unchecked | 2 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | Serine/threonine-protein kinase PLK2 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | Serine/threonine-protein kinase PLK1 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | Serine/threonine-protein kinase PLK3 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | K562 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | MCF7 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | Huh-7 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | A549 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | NCI-H1975 | 1 |
| 29220793 | 10.1016/j.ejmech.2017.11.058 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine