Compound Detail
CHEMBL426183
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Basic Information
| ChEMBL ID | CHEMBL426183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNWXBCDASDHBCA-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.08
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.97 | 6.8633 | 108.0 | 3 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
| Blood CHEMBL613416 | IC50 | 4.52 | 4.505 | 30500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 108.0 | nM | 6.97 | Inhibition of p38alpha (unknown origin) | 36490325 |
| Mitogen-activated protein kinase 14 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of p38alpha by immunosorbent based assay | 20934337 |
| Mitogen-activated protein kinase 10 | IC50 | = | 202.0 | nM | 6.7 | Inhibition of JNK3 (unknown origin) | 36490325 |
| Mitogen-activated protein kinase 14 | IC50 | = | 218.0 | nM | 6.66 | Inhibition of mitogen-activated protein kinase p38 alpha | 15566301 |
| Blood | IC50 | = | 30500.0 | nM | 4.52 | Inhibition of LPS-induced IL1 beta production in human whole blood | 15566301 |
| Blood | IC50 | = | 32750.0 | nM | 4.49 | Inhibition of LPS-induced TNFalpha 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 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 1A2 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 2C9 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 2C19 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 2D6 | 1 |
| 15566301 | 10.1021/jm0496584 | Cytochrome P450 3A4 | 1 |
| 20934337 | 10.1016/j.bmcl.2010.09.012 | Mitogen-activated protein kinase 14 | 1 |
| 36490325 | 10.1021/acs.jmedchem.2c00799 | Mitogen-activated protein kinase 14 | 1 |
| 36490325 | 10.1021/acs.jmedchem.2c00799 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine