Compound Detail
CHEMBL2062571
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Basic Information
| ChEMBL ID | CHEMBL2062571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGZDPMXIIKQRKT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
2.31
ALogP
8
HBA
2
HBD
109.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 8.4 | 7.82 | 4.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.88 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| Fu | 0.124 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | IC50 | = | 4.0 | nM | 8.4 | Inhibition of full length N-terminus His-tagged human CK2alpha expressed in inse... | 24900464 |
| Casein kinase II subunit alpha | IC50 | = | 57.0 | nM | 7.24 | Inhibition of CK2alpha in human HCT116 cells assessed as decrease in AKT phospho... | 24900464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900464 | 10.1021/ml200257n | Casein kinase II subunit alpha | 2 |
| 24900464 | 10.1021/ml200257n | No relevant target | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 24900464 | 10.1021/ml200257n | SW480 | 1 |
| 24900464 | 10.1021/ml200257n | HCT-116 | 1 |
| 24900464 | 10.1021/ml200257n | Plasma | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine