Compound Detail
CHEMBL198687
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Basic Information
| ChEMBL ID | CHEMBL198687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMTFXHFSJAESMU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.0
MW (Da)
5.08
ALogP
5
HBA
3
HBD
82.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.64 | 6.64 | 228.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 3.4 | nM | 8.47 | Inhibitory concentration against c-Jun N-terminal kinase 3 | 16140012 |
| Mitogen-activated protein kinase 14 | IC50 | = | 3.7 | nM | 8.43 | Inhibitory concentration against Mitogen-activated protein kinase p38 alpha | 16140012 |
| Mitogen-activated protein kinase 8 | IC50 | = | 228.0 | nM | 6.64 | Inhibitory concentration against c-Jun N-terminal kinase 1 | 16140012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 10 | 1 |
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 8 | 1 |
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine