Compound Detail
CHEMBL97550
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Basic Information
| ChEMBL ID | CHEMBL97550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJYVFTWYPMHXKV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.81
ALogP
6
HBA
2
HBD
67.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.85 | 8.85 | 1.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1.4 | nM | 8.85 | Inhibition against Mitogen-activated protein kinase p38 alpha | 11597418 |
| Unchecked | IC50 | = | 1.4 | nM | 8.85 | Inhibition of p38 MAPK | 18406015 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of p38alpha expressed in Escherichia coli or baculovirus-infected ins... | 21699136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597418 | 10.1016/s0960-894x(01)00570-4 | Mitogen-activated protein kinase 14 | 2 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 2 |
| 18406015 | 10.1016/j.ejmech.2008.02.014 | Unchecked | 1 |
| 21699136 | 10.1021/jm200349b | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine