Compound Detail
CHEMBL198756
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 | CHEMBL198756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMLKAXKHAOGCFY-HNNXBMFYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.45
ALogP
6
HBA
2
HBD
75.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.6 | 8.6 | 2.5 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.55 | 7.55 | 28.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 2.5 | nM | 8.6 | Inhibitory activity against c-Jun N-terminal kinase 3 at a concentration of 1.0 ... | 16153829 |
| Mitogen-activated protein kinase 10 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of JNK3 | 20146479 |
| Mitogen-activated protein kinase 14 | IC50 | = | 28.0 | nM | 7.55 | Inhibitory activity against p38 at a concentration of 1.0 uM | 16153829 |
| Mitogen-activated protein kinase 14 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of p38alpha | 20146479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153829 | 10.1016/j.bmcl.2005.07.076 | Mitogen-activated protein kinase 10 | 1 |
| 16153829 | 10.1016/j.bmcl.2005.07.076 | Mitogen-activated protein kinase 14 | 1 |
| 16153829 | 10.1016/j.bmcl.2005.07.076 | Unchecked | 1 |
| 20146479 | 10.1021/jm9003279 | Mitogen-activated protein kinase 10 | 1 |
| 20146479 | 10.1021/jm9003279 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine