Compound Detail
CHEMBL5430283
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Basic Information
| ChEMBL ID | CHEMBL5430283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNVMWNZONLRRO-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
549.8
MW (Da)
3.73
ALogP
5
HBA
2
HBD
67.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase 2 CHEMBL3832943 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Casein kinase 2 CHEMBL3832943 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase 2 | Ki | = | 15.0 | nM | 7.82 | Binding affinity to CK2 (unknown origin) assessed as inhibition constant | 36745746 |
| Casein kinase 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of CK2 (unknown origin) | 36745746 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 40.0 | nM | 7.4 | Inhibition of PIM1 (unknown origin) | 36745746 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 86.0 | nM | 7.07 | Inhibition of PIM1 (unknown origin) | 36745746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36745746 | 10.1021/acs.jmedchem.2c01523 | Casein kinase 2 | 2 |
| 36745746 | 10.1021/acs.jmedchem.2c01523 | Serine/threonine-protein kinase pim-1 | 2 |
Data from ChEMBL 36 via Core Engine