Compound Detail
CHEMBL327987
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Basic Information
| ChEMBL ID | CHEMBL327987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYTWYELKTBDZFP-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
501.9
MW (Da)
6.84
ALogP
3
HBA
3
HBD
56.4
PSA (Ų)
0.37
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 9.3 | 8.37 | 0.5 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.3 | 9.3 | 0.5 | 3 |
| Blood CHEMBL613416 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| THP-1 CHEMBL614245 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 0.5 | nM | 9.3 | Inhibitory activity against mitogen-activated protein kinase p38 alpha | 12482439 |
| MAP kinase p38 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of p38 MAP kinase | 12565952 |
| Mitogen-activated protein kinase 14 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of p38alpha | 18271520 |
| Mitogen-activated protein kinase 14 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of p38alpha MAPK (unknown origin) | - |
| THP-1 | IC50 | = | 4.4 | nM | 8.36 | Inhibition of LPS-stimulated TNF-alpha production in THP-1 cells | 12482439 |
| Blood | IC50 | = | 4.4 | nM | 8.36 | Suppression of TNFalpha production in LPS-stimulated whole blood | 18271520 |
| MAP kinase p38 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of p38 kinase related TNF-alpha release | 12565952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565952 | 10.1016/s0960-894x(02)00990-3 | MAP kinase p38 | 2 |
| 12482439 | 10.1016/s0960-894x(02)00752-7 | Mitogen-activated protein kinase 14 | 1 |
| 12482439 | 10.1016/s0960-894x(02)00752-7 | THP-1 | 1 |
| 18271520 | 10.1021/jm070654j | Mitogen-activated protein kinase 14 | 1 |
| 18271520 | 10.1021/jm070654j | Blood | 1 |
| - | 10.1007/s00044-012-0179-7 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine