Compound Detail
CHEMBL1682287
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Basic Information
| ChEMBL ID | CHEMBL1682287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPAFJYDMDLWXAO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.8
MW (Da)
3.86
ALogP
6
HBA
3
HBD
114.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant CK2 by radiometric assay | 21316963 |
| Casein kinase II subunit alpha | IC50 | = | 4.0 | nM | 8.4 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 4.0 | nM | 8.4 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316963 | 10.1016/j.bmcl.2011.01.091 | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine