Compound Detail
CHEMBL1928904
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Basic Information
| ChEMBL ID | CHEMBL1928904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IODIRGAXDLIGBF-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
551.9
MW (Da)
5.57
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.36
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha' CHEMBL4070 | Ki | 7.36 | 7.21 | 44.0 | 2 |
| Casein kinase II subunit alpha CHEMBL3629 | Ki | 7.11 | 6.895 | 77.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha' | Ki | = | 44.0 | nM | 7.36 | Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B... | 22115617 |
| Casein kinase II subunit alpha | Ki | = | 77.0 | nM | 7.11 | Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE... | 22115617 |
| Casein kinase II subunit alpha' | Ki | = | 88.0 | nM | 7.06 | Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli B... | 22115617 |
| Casein kinase II subunit alpha | Ki | = | 210.0 | nM | 6.68 | Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL... | 22115617 |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Inhibition of CK2 | 22698781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22115617 | 10.1016/j.ejmech.2011.11.002 | Casein kinase II subunit alpha | 2 |
| 22115617 | 10.1016/j.ejmech.2011.11.002 | Casein kinase II subunit alpha' | 2 |
| 22698781 | 10.1016/j.bmc.2012.05.038 | LNCaP | 2 |
| 22115617 | 10.1016/j.ejmech.2011.11.002 | Unchecked | 1 |
| 22698781 | 10.1016/j.bmc.2012.05.038 | Unchecked | 1 |
| 22698781 | 10.1016/j.bmc.2012.05.038 | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine