Compound Detail
CHEMBL404118
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CC(C)(C)Cn1cnc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL404118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWLPLRFGELWGFN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185273 |
| Active Moiety | CHEMBL1185273 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
6.62
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 7.2 | nM | 8.14 | Inhibition of human recombinant p38alpha | 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