Compound Detail
CHEMBL328752
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COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2
Basic Information
| ChEMBL ID | CHEMBL328752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPMVCHCFHWRPMX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
495.3
MW (Da)
6.83
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.77 | 6.77 | 169.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against mitogen-activated protein kinase p38 alpha | 12482439 |
| Mitogen-activated protein kinase 14 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of p38alpha | 18271520 |
| Mitogen-activated protein kinase 14 | IC50 | = | 169.82 | nM | 6.77 | Inhibition of p38alpha MAPK (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12482439 | 10.1016/s0960-894x(02)00752-7 | Mitogen-activated protein kinase 14 | 1 |
| 18271520 | 10.1021/jm070654j | Mitogen-activated protein kinase 14 | 1 |
| - | 10.1007/s00044-012-0179-7 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine