Compound Detail
CHEMBL222920
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Basic Information
| ChEMBL ID | CHEMBL222920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATXWBUFHRMPRTL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.47
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.69 | 6.69 | 205.0 | 1 |
| Blood CHEMBL613416 | IC50 | 4.75 | 4.745 | 17750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 205.0 | nM | 6.69 | Inhibition of mitogen-activated protein kinase p38 alpha | 15566301 |
| Blood | IC50 | = | 17750.0 | nM | 4.75 | Inhibition of LPS-induced TNFalpha production in human whole blood | 15566301 |
| Blood | IC50 | = | 18250.0 | nM | 4.74 | Inhibition of LPS-induced IL1 beta production in human whole blood | 15566301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566301 | 10.1021/jm0496584 | Blood | 2 |
| 15566301 | 10.1021/jm0496584 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine