Compound Detail
CHEMBL3758475
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Basic Information
| ChEMBL ID | CHEMBL3758475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DILXNRRDLOTNSS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
4.92
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha' CHEMBL4070 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha' | IC50 | = | 280.0 | nM | 6.55 | Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as su... | 26850376 |
| Casein kinase II subunit alpha | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as sub... | 26850376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26850376 | 10.1016/j.bmc.2016.01.043 | Casein kinase II subunit alpha | 1 |
| 26850376 | 10.1016/j.bmc.2016.01.043 | Casein kinase II subunit alpha' | 1 |
| 26850376 | 10.1016/j.bmc.2016.01.043 | A549 | 1 |
Data from ChEMBL 36 via Core Engine