Compound Detail
CHEMBL454681
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Basic Information
| ChEMBL ID | CHEMBL454681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQHNMNCRCCSJQW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.2
MW (Da)
1.49
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 27400.0 | nM | 4.56 | Inhibition of CK2 kinase (unknown origin) using RRRDDDSDDD as substrate after 10... | 25912672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053778 | 10.1021/jm800869t | Human immunodeficiency virus 1 | 1 |
| 19053778 | 10.1021/jm800869t | MT2 | 1 |
| 19053778 | 10.1021/jm800869t | Unchecked | 1 |
| 25912672 | 10.1016/j.ejmech.2015.04.032 | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine