Compound Detail
CHEMBL2048143
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2048143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMQVKKSZWZUZOB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
2.10
ALogP
7
HBA
1
HBD
109.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.66 | 6.31 | 22.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22.0 | nM | 7.66 | Inhibition of CK2 | 22633690 |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | 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