Compound Detail
CHEMBL1682280
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Basic Information
| ChEMBL ID | CHEMBL1682280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSXPHOLBCMJTBO-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.8
MW (Da)
4.41
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 8.0 | 6.984 | 10.0 | 5 |
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant CK2 by radiometric assay | 21316963 |
| Casein kinase II subunit alpha | IC50 | = | 10.0 | nM | 8.0 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 10.0 | nM | 8.0 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha' | IC50 | = | 19.0 | nM | 7.72 | Inhibition of C-terminal Nano-Luc fused human CK2alpha' expressed in HEK293 cell... | 37077385 |
| Casein kinase II subunit alpha | IC50 | = | 110.0 | nM | 6.96 | Inhibition of C-terminal Nano-Luc fused human CK2alpha expressed in HEK293 cells... | 37077385 |
| Casein kinase II subunit alpha | IC50 | = | 1056.0 | nM | 5.98 | Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta... | - |
| Casein kinase II subunit alpha | IC50 | = | 1056.0 | nM | 5.98 | Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37077385 | 10.1021/acsmedchemlett.2c00530 | Casein kinase II subunit alpha | 2 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | Casein kinase II subunit alpha' | 2 |
| 21316963 | 10.1016/j.bmcl.2011.01.091 | Casein kinase II | 1 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine