Compound Detail
CHEMBL109331
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Basic Information
| ChEMBL ID | CHEMBL109331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXPWQNBKEIVYIS-OAHLLOKOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
6.17
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.39 | 6.8767 | 41.0 | 3 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 41.0 | nM | 7.39 | Inhibitory activity against induction of IL-1-beta release in PBMCs | 12852754 |
| Mitogen-activated protein kinase 14 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of... | 21449619 |
| MAP kinase p38 | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against TNF-alpha release in PBM cells | 12852754 |
| MAP kinase p38 | IC50 | = | 340.0 | nM | 6.47 | Inhibitory activity against mitogen-activated protein kinase p38 at 10 e-4 to 10... | 12852754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852754 | 10.1021/jm030766k | MAP kinase p38 | 3 |
| 21449619 | 10.1021/jm101623p | Mitogen-activated protein kinase 14 | 3 |
Data from ChEMBL 36 via Core Engine