Compound Detail
CHEMBL482086
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Basic Information
| ChEMBL ID | CHEMBL482086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXEBQLXMNHUVPU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.74
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.7 | 7.3467 | 20.0 | 3 |
| Blood CHEMBL613416 | IC50 | 6.44 | 6.44 | 362.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of p38alpha | 18578517 |
| Mitogen-activated protein kinase 14 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of... | 21449619 |
| Mitogen-activated protein kinase 14 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of p38 alpha MAPK in human whole blood assessed as suppression of LPS... | 21449619 |
| Blood | IC50 | = | 362.0 | nM | 6.44 | Inhibition of TNFalpha release in human whole blood | 18578517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21449619 | 10.1021/jm101623p | Mitogen-activated protein kinase 14 | 4 |
| 18578517 | 10.1021/jm701529q | Blood | 2 |
| 18578517 | 10.1021/jm701529q | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine