Compound Detail
CHEMBL367957
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Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4ccc([S+](C)[O-])cc4)nc3-c3ccc(F)cc3)ccc21
Basic Information
| ChEMBL ID | CHEMBL367957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBCCVKGEDUHOSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
4.48
ALogP
5
HBA
1
HBD
78.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against mitogen activated protein (MAP) kinase p38 alpha. | 15012994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15012994 | 10.1016/j.bmcl.2003.12.023 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine