Compound Detail
CHEMBL2048140
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Basic Information
| ChEMBL ID | CHEMBL2048140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYUWNOLKWJKBQZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
1.82
ALogP
7
HBA
2
HBD
111.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 6.46 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of CK2 | 22633690 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of CK2 expressed in HEK293 cells by SRE-luciferase reporter gene assa... | 22633690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22633690 | 10.1016/j.bmcl.2012.05.006 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine