Compound Detail
CHEMBL522618
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Basic Information
| ChEMBL ID | CHEMBL522618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAAGOCSHXCDWDY-ZDUSSCGKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
4.79
ALogP
6
HBA
1
HBD
69.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK2 CHEMBL5938 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Serine/threonine-protein kinase PLK3 CHEMBL4897 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 5.13 | 5.13 | 7320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human Plk2 | 18790636 |
| Serine/threonine-protein kinase PLK3 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human Plk3 | 18790636 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 214.0 | nM | 6.67 | Inhibition of human Plk1 | 18790636 |
| Molecular identity unknown | IC50 | = | 7320.0 | nM | 5.13 | Cell cycle arrest in human HCT 116 cells assessed as doubling of DNA content by ... | 18790636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18790636 | 10.1016/j.bmcl.2008.08.091 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18790636 | 10.1016/j.bmcl.2008.08.091 | Serine/threonine-protein kinase PLK1 | 1 |
| 18790636 | 10.1016/j.bmcl.2008.08.091 | Molecular identity unknown | 1 |
| 18790636 | 10.1016/j.bmcl.2008.08.091 | Serine/threonine-protein kinase PLK2 | 1 |
| 18790636 | 10.1016/j.bmcl.2008.08.091 | Serine/threonine-protein kinase PLK3 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine