Compound Detail
CHEMBL270842
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CS(=O)(=O)O.Cc1nc(-c2ccc(F)cc2F)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL270842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWEHYUDTWMIDEG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1182874 |
| Active Moiety | CHEMBL1182874 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.85
ALogP
6
HBA
2
HBD
106.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Macrophage CHEMBL612578 | IC50 | 7.33 | 7.33 | 46.5 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 7.22 | 7.22 | 59.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 8.8 | nM | 8.06 | Inhibition of human recombinant p38alpha | 18039577 |
| Macrophage | IC50 | = | 46.5 | nM | 7.33 | Inhibition of LPS-stimulated TNFalpha production in mouse peritoneal macrophages | 18039577 |
| Mitogen-activated protein kinase 14 | IC50 | = | 59.7 | nM | 7.22 | Inhibition of mouse p38alpha in anisomycin-stimulated RAW 264.7 cells by ELISA | 18039577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18039577 | 10.1016/j.bmcl.2007.10.106 | Mitogen-activated protein kinase 14 | 2 |
| 18039577 | 10.1016/j.bmcl.2007.10.106 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine