Compound Detail
CHEMBL1081990
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Basic Information
| ChEMBL ID | CHEMBL1081990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKUBXBWCGDYKPX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.8
MW (Da)
4.38
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| THP-1 CHEMBL614245 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human recombinant p38alpha assessed as phosphorylated ATF2 after 1... | 20138761 |
| THP-1 | IC50 | = | 8.8 | nM | 8.06 | Antiinflammatory activity against LPS-induced TNFalpha production in human THP1 ... | 20138761 |
| NON-PROTEIN TARGET | IC50 | = | 30.0 | nM | 7.52 | Antiinflammatory activity against TNF-alpha-induced IL8 production in human whol... | 20138761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138761 | 10.1016/j.bmcl.2010.01.059 | Mitogen-activated protein kinase 14 | 1 |
| 20138761 | 10.1016/j.bmcl.2010.01.059 | THP-1 | 1 |
| 20138761 | 10.1016/j.bmcl.2010.01.059 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine