Compound Detail
CHEMBL66802
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 | CHEMBL66802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJDBZZUDGFGXKR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.88
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of p38alpha MAP kinase | 19301816 |
| Mitogen-activated protein kinase 14 | IC50 | = | 800.0 | nM | 6.1 | In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity... | 12127515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Mitogen-activated protein kinase 14 | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | PBMC | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Prostaglandin G/H synthase 1 | 1 |
| 19301816 | 10.1021/jm801467h | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine