Compound Detail
CHEMBL569552
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Basic Information
| ChEMBL ID | CHEMBL569552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBWVMDRPEVOBMO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
5.26
ALogP
5
HBA
1
HBD
60.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of p38alpha by Cherenkov counting | 19591487 |
| Casein kinase I isoform delta | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of recombinant CK1delta kinase domain by Cherenkov counting | 19591487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19591487 | 10.1021/jm9005127 | Mitogen-activated protein kinase 14 | 1 |
| 19591487 | 10.1021/jm9005127 | Casein kinase I isoform delta | 1 |
Data from ChEMBL 36 via Core Engine