Compound Detail
CHEMBL482279
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(C)CCc3ccccc3)c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL482279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWFPDESMUYPUDR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
7.31
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.89 | 5.61 | 1290.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 49.0 | nM | 7.31 | Inhibition of p38alpha | 18578517 |
| Blood | IC50 | = | 1290.0 | nM | 5.89 | Inhibition of IL1-beta release in human whole blood | 18578517 |
| Blood | IC50 | = | 4640.0 | nM | 5.33 | Inhibition of TNFalpha release in human whole blood | 18578517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578517 | 10.1021/jm701529q | Blood | 2 |
| 18578517 | 10.1021/jm701529q | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine