Compound Detail
CHEMBL411083
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)n1Cc1cc(S(C)(=O)=O)n(CC(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL411083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRDVIBNMPLEMHA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
534.0
MW (Da)
4.83
ALogP
7
HBA
0
HBD
91.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL5718 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human JNK1 by radiometric assay | 18313930 |
| Mitogen-activated protein kinase 8 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of JNK1 in rat H9c2 cells assessed as inhibition of anisomycin-induce... | 18313930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18313930 | 10.1016/j.bmc.2008.02.028 | Mitogen-activated protein kinase 8 | 2 |
| 18313930 | 10.1016/j.bmc.2008.02.028 | ADMET | 2 |
| 18313930 | 10.1016/j.bmc.2008.02.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine