Compound Detail
CHEMBL259555
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
CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL259555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOLFLBFMEJTECS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.0
MW (Da)
5.37
ALogP
5
HBA
0
HBD
73.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human JNK1 by radiometric assay | 18313930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18313930 | 10.1016/j.bmc.2008.02.028 | Mitogen-activated protein kinase 8 | 2 |
Data from ChEMBL 36 via Core Engine