Compound Detail
CHEMBL379590
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Basic Information
| ChEMBL ID | CHEMBL379590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQDZBQZEDXQQPJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.8
MW (Da)
4.97
ALogP
5
HBA
0
HBD
56.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Monocyte CHEMBL614076 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of p38alpha | 16759861 |
| Monocyte | IC50 | = | 20.0 | nM | 7.7 | Inhibition of LPS-induced TNFalpha production in human monocytes | 16759861 |
| Homo sapiens | IC50 | = | 600.0 | nM | 6.22 | Inhibition of LPS-induced TNFalpha production in human whole blood | 16759861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Hepatocyte | 2 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Monocyte | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Homo sapiens | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine