Compound Detail
CHEMBL2087004
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Basic Information
| ChEMBL ID | CHEMBL2087004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTJUGKNFZGGFIC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.07
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 4.49 | 4.49 | 32200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 26800.0 | nM | 4.57 | Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli... | 22339433 |
| Casein kinase II | IC50 | = | 26800.0 | nM | 4.57 | Inhibition of CK2 kinase (unknown origin) using RRRDDDSDDD as substrate after 10... | 25912672 |
| Casein kinase II subunit alpha' | IC50 | = | 32200.0 | nM | 4.49 | Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia col... | 22339433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22339433 | 10.1021/jm2015167 | Casein kinase II subunit alpha | 1 |
| 22339433 | 10.1021/jm2015167 | Casein kinase II subunit alpha' | 1 |
| 25912672 | 10.1016/j.ejmech.2015.04.032 | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine