Compound Detail
CHEMBL118768
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Basic Information
| ChEMBL ID | CHEMBL118768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKIUUWZOERDVQU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
6.31
ALogP
5
HBA
0
HBD
52.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL4335 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.79 | 6.79 | 161.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 14.0 | nM | 7.85 | Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombi... | 12540232 |
| Mitogen-activated protein kinase 11 | IC50 | = | 64.0 | nM | 7.19 | Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mito... | 12540232 |
| MAP kinase p38 | IC50 | = | 161.0 | nM | 6.79 | Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells b... | 12540232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12540232 | 10.1021/jm025585h | Mitogen-activated protein kinase 14 | 1 |
| 12540232 | 10.1021/jm025585h | Mitogen-activated protein kinase 11 | 1 |
| 12540232 | 10.1021/jm025585h | Mitogen-activated protein kinase 9 | 1 |
| 12540232 | 10.1021/jm025585h | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine