Compound Detail
CHEMBL2087008
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Basic Information
| ChEMBL ID | CHEMBL2087008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGYUPENFFDJHHX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.16
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Ki | = | 32.0 | nM | 7.5 | Inhibition of CK2alpha (unknown origin) using RRRADDSDDDDD as substrate in prese... | 31400711 |
| Casein kinase II subunit alpha' | IC50 | = | 1200.0 | nM | 5.92 | Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia col... | 22339433 |
| Casein kinase II subunit alpha | IC50 | = | 3400.0 | nM | 5.47 | Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli... | 22339433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22339433 | 10.1021/jm2015167 | Casein kinase II subunit alpha | 1 |
| 22339433 | 10.1021/jm2015167 | Casein kinase II subunit alpha' | 1 |
| 22339433 | 10.1021/jm2015167 | A549 | 1 |
| 22339433 | 10.1021/jm2015167 | HCT-116 | 1 |
| 22339433 | 10.1021/jm2015167 | MCF7 | 1 |
| 31400711 | 10.1016/j.ejmech.2019.111581 | Casein kinase II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine