Compound Detail
CHEMBL1089457
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Basic Information
| ChEMBL ID | CHEMBL1089457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCLLQZBMMGSNLC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
4.01
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.84
Ki 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.84 | 7.84 | 14.4 | 1 |
| Blood CHEMBL613416 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 2.3 | nM | 8.64 | Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 h... | 20218619 |
| THP-1 | IC50 | = | 14.4 | nM | 7.84 | Inhibition of LPS-induced TNFalpha production in human THP1 cells after 3 hrs | 20218619 |
| Blood | IC50 | = | 24.0 | nM | 7.62 | Inhibition of IL-8 production in TNFalpha challenged human whole blood after 16 ... | 20218619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20218619 | 10.1021/jm100095x | Mitogen-activated protein kinase 14 | 1 |
| 20218619 | 10.1021/jm100095x | THP-1 | 1 |
| 20218619 | 10.1021/jm100095x | Blood | 1 |
Data from ChEMBL 36 via Core Engine