Compound Detail
CHEMBL94086
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Basic Information
| ChEMBL ID | CHEMBL94086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYLXRBYSIRVXBG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
5.37
ALogP
5
HBA
0
HBD
61.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 4.75 | 4.635 | 17800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 17800.0 | nM | 4.75 | Inhibition of p38 MAP kinase related interleukin (IL1-beta (cytokine) release fr... | 12061876 |
| MAP kinase p38 | IC50 | = | 29900.0 | nM | 4.52 | Inhibition of p38 MAP kinase related TNF-alpha release from peripheral blood mon... | 12061876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061876 | 10.1021/jm011098a | MAP kinase p38 | 4 |
Data from ChEMBL 36 via Core Engine