Compound Detail
CHEMBL426122
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Basic Information
| ChEMBL ID | CHEMBL426122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBVLOVCZMGZLBI-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
2.58
ALogP
6
HBA
1
HBD
67.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.11 | 5.8275 | 780.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of LPS-induced TNFalpha production in THP1 cells | 16509574 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1210.0 | nM | 5.92 | Inhibition of LPS-induced TNFalpha production in THP1 cells | 16509574 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2000.0 | nM | 5.7 | Displacement of [33P] ATP from human recombinant active p38alpha | 16509574 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2650.0 | nM | 5.58 | Displacement of [33P] ATP from human recombinant active p38alpha | 16509574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509574 | 10.1021/jm050736c | Mitogen-activated protein kinase 14 | 4 |
| 16509574 | 10.1021/jm050736c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine