Compound Detail
CHEMBL213598
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Basic Information
| ChEMBL ID | CHEMBL213598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZOYLKSNBWXBCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.8
MW (Da)
5.11
ALogP
5
HBA
0
HBD
56.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| Monocyte CHEMBL614076 | IC50 | 7.26 | 7.26 | 54.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 5.6 | nM | 8.25 | Inhibition of p38alpha | 16759861 |
| Monocyte | IC50 | = | 54.8 | nM | 7.26 | Inhibition of LPS-induced TNFalpha production in human monocytes | 16759861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Hepatocyte | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Homo sapiens | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Monocyte | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine