Compound Detail
CHEMBL1652703
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Basic Information
| ChEMBL ID | CHEMBL1652703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWIQBQDSYRRBAO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
4.09
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 8.05 | 7.3533 | 9.0 | 3 |
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco... | 21174434 |
| Casein kinase II subunit alpha | IC50 | = | 9.0 | nM | 8.05 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 9.0 | nM | 8.05 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha' | IC50 | = | 450.0 | nM | 6.35 | Inhibition of C-terminal Nano-Luc fused human CK2alpha' expressed in HEK293 cell... | 37077385 |
| Casein kinase II subunit alpha | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of C-terminal Nano-Luc fused human CK2alpha expressed in HEK293 cells... | 37077385 |
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 |
| 21174434 | 10.1021/jm101251q | Casein kinase II | 1 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine