Compound Detail
CHEMBL1773431
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C[S@+]([O-])c1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1773431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHQVABOBZWQZHI-YTTGMZPUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.34
ALogP
4
HBA
2
HBD
93.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.85 | 5.985 | 141.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 141.0 | nM | 6.85 | Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of... | 21449619 |
| Mitogen-activated protein kinase 14 | IC50 | = | 7530.0 | nM | 5.12 | Inhibition of p38 alpha MAPK in human whole blood assessed as suppression of LPS... | 21449619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21449619 | 10.1021/jm101623p | Mitogen-activated protein kinase 14 | 4 |
Data from ChEMBL 36 via Core Engine