Compound Detail
CHEMBL2316197
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
COC(=O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL2316197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STTSHEDSPVREJI-VWLOTQADSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.5
MW (Da)
4.26
ALogP
7
HBA
2
HBD
110.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.92 | 8.3233 | 1.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1.2 | nM | 8.92 | Inhibition of human p38 MAPK alpha incubated for 1 hr by photometric method | 33974419 |
| Mitogen-activated protein kinase 14 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of p38alpha MAP kinase (unknown origin) by ELISA | 23270382 |
| Mitogen-activated protein kinase 14 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as li... | 23270382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270382 | 10.1021/jm301539x | Mitogen-activated protein kinase 14 | 2 |
| 33974419 | 10.1021/acs.jmedchem.0c01773 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine