Compound Detail
CHEMBL3700416
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Basic Information
| ChEMBL ID | CHEMBL3700416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKWLPIWZGQPVEB-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.8
MW (Da)
4.79
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 8.3 | 7.124 | 5.0 | 5 |
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 5.0 | nM | 8.3 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 5.0 | nM | 8.3 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha' | IC50 | = | 17.0 | nM | 7.77 | Inhibition of C-terminal Nano-Luc fused human CK2alpha' expressed in HEK293 cell... | 37077385 |
| Casein kinase II subunit alpha | IC50 | = | 230.0 | nM | 6.64 | Inhibition of C-terminal Nano-Luc fused human CK2alpha expressed in HEK293 cells... | 37077385 |
| Casein kinase II subunit alpha | IC50 | = | 640.0 | nM | 6.19 | Modulation of Endogenous Assay: The human leukemia Jurkat T-cell line was mainta... | - |
| Casein kinase II subunit alpha | IC50 | = | 640.0 | nM | 6.19 | 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 |
| 37077385 | 10.1021/acsmedchemlett.2c00530 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine