Compound Detail
CHEMBL198821
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Basic Information
| ChEMBL ID | CHEMBL198821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCDOWHQVNDXVPB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
4.92
ALogP
4
HBA
3
HBD
73.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.16 | 6.16 | 698.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 16.0 | nM | 7.8 | Inhibitory concentration against Mitogen-activated protein kinase p38 alpha | 16140012 |
| Mitogen-activated protein kinase 10 | IC50 | = | 21.0 | nM | 7.68 | Inhibitory concentration against c-Jun N-terminal kinase 3 | 16140012 |
| Mitogen-activated protein kinase 8 | IC50 | = | 698.0 | nM | 6.16 | 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