Compound Detail
CHEMBL1766572
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CS(=O)(=O)N1CCC(n2c(=O)c(Oc3ccc(F)cc3F)cc3cnc(NC4CCOCC4)nc32)CC1
Basic Information
| ChEMBL ID | CHEMBL1766572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASOVUAMIHHQHJF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.05
ALogP
9
HBA
1
HBD
115.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Blood CHEMBL613416 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human recombinant p38alpha assessed as incorporation of 33P from g... | 21375264 |
| Blood | IC50 | = | 52.0 | nM | 7.28 | Inhibition of TNFalpha-induced IL1-beta production in human whole blood after 2 ... | 21375264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21375264 | 10.1021/jm101423y | Mitogen-activated protein kinase 14 | 1 |
| 21375264 | 10.1021/jm101423y | Blood | 1 |
Data from ChEMBL 36 via Core Engine