Compound Detail
CHEMBL223082
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Basic Information
| ChEMBL ID | CHEMBL223082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHUVOMTZDXDBOB-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
523.8
MW (Da)
4.79
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.43
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha' CHEMBL4070 | Ki | 7.43 | 7.37 | 37.0 | 2 |
| Casein kinase II subunit alpha CHEMBL3629 | Ki | 6.97 | 6.87 | 106.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Casein kinase II CHEMBL2095191 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Casein kinase II CHEMBL2095191 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha' | Ki | = | 37.0 | nM | 7.43 | Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B... | 22115617 |
| Casein kinase II subunit alpha' | Ki | = | 49.0 | nM | 7.31 | Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B... | 22115617 |
| Casein kinase II subunit alpha | Ki | = | 106.0 | nM | 6.97 | Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE... | 22115617 |
| Unchecked | Ki | = | 120.0 | nM | 6.92 | Inhibition of rat liver Casein kinase 2 | 19748274 |
| Casein kinase II subunit alpha | Ki | = | 170.0 | nM | 6.77 | Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL... | 22115617 |
| Casein kinase II | Ki | = | 180.0 | nM | 6.75 | Inhibition of CK2 | 15566294 |
| Casein kinase II | IC50 | = | 250.0 | nM | 6.6 | Inhibition of CK2 | 15566294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566294 | 10.1021/jm049854a | Casein kinase II | 2 |
| 22115617 | 10.1016/j.ejmech.2011.11.002 | Casein kinase II subunit alpha | 2 |
| 22115617 | 10.1016/j.ejmech.2011.11.002 | Casein kinase II subunit alpha' | 2 |
| 19748274 | 10.1016/j.bmc.2009.08.047 | Unchecked | 1 |
| 22115617 | 10.1016/j.ejmech.2011.11.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine