Compound Detail
CHEMBL118651
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL118651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUVNUGZFBADGIN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
5.32
ALogP
5
HBA
0
HBD
52.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.7 | 7.35 | 20.0 | 2 |
| Mitogen-activated protein kinase 11 CHEMBL4335 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 9.0 | nM | 8.05 | Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombi... | 12540232 |
| MAP kinase p38 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells b... | 12540232 |
| Mitogen-activated protein kinase 11 | IC50 | = | 28.0 | nM | 7.55 | Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mito... | 12540232 |
| MAP kinase p38 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in hum... | 12540232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12540232 | 10.1021/jm025585h | MAP kinase p38 | 2 |
| 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 | Unchecked | 1 |
| 12540232 | 10.1021/jm025585h | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine