Compound Detail
CHEMBL399167
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
Basic Information
| ChEMBL ID | CHEMBL399167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPHLFVIDUSHWHQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
4.92
ALogP
4
HBA
3
HBD
73.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.72 | 8.72 | 1.9 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 1.9 | nM | 8.72 | Inhibitory concentration against c-Jun N-terminal kinase 3 | 16140012 |
| Mitogen-activated protein kinase 10 | IC50 | = | 1.9 | nM | 8.72 | Inhibition of JNK3 | 17451961 |
| Mitogen-activated protein kinase 14 | IC50 | = | 8.7 | nM | 8.06 | Inhibitory concentration against Mitogen-activated protein kinase p38 alpha | 16140012 |
| Mitogen-activated protein kinase 8 | IC50 | = | 45.0 | nM | 7.35 | Inhibitory concentration against c-Jun N-terminal kinase 1 | 16140012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 10 | 1 |
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 8 | 1 |
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 14 | 1 |
| 17451961 | 10.1016/j.bmc.2007.03.062 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine