Compound Detail
CHEMBL2062585
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Basic Information
| ChEMBL ID | CHEMBL2062585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXZDYVDTIVZZCX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.23
ALogP
8
HBA
3
HBD
137.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 2 CHEMBL4576 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 2 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of HipK2 | 24900464 |
| Casein kinase II subunit alpha | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of CK2alpha in human HCT116 cells assessed as decrease in AKT phospho... | 24900464 |
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of Dyrk1 | 24900464 |
| Glycogen synthase kinase-3 beta | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of GSK3beta | 24900464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900464 | 10.1021/ml200257n | Casein kinase II subunit alpha | 2 |
| 24900464 | 10.1021/ml200257n | HCT-116 | 1 |
| 24900464 | 10.1021/ml200257n | Glycogen synthase kinase-3 beta | 1 |
| 24900464 | 10.1021/ml200257n | Homeodomain-interacting protein kinase 2 | 1 |
| 24900464 | 10.1021/ml200257n | Unchecked | 1 |
| 24900464 | 10.1021/ml200257n | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 29559278 | 10.1016/j.bmcl.2018.03.018 | Casein kinase II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine