Compound Detail
CHEMBL3706697
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3706697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHSQDZXAVJRBMX-KKOKHZNYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.1
MW (Da)
0.95
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Casein kinase II CHEMBL2095191 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Ki | = | 400.0 | nM | 6.4 | Inhibition of CK2alpha in human PLC1 cells using (Arg)3(Glu)3Thr(Glu)3 as substr... | 31400711 |
| Casein kinase II | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of CK2 (unknown origin) | 25912672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25912672 | 10.1016/j.ejmech.2015.04.032 | Casein kinase II | 1 |
| 31400711 | 10.1016/j.ejmech.2019.111581 | Casein kinase II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine