Compound Detail
CHEMBL1911339
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 | CHEMBL1911339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQIQLCMOHRXXEA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
5.78
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
| Blood CHEMBL613416 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 0.06 | nM | 10.22 | Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated f... | 21958544 |
| Blood | IC50 | = | 10.7 | nM | 7.97 | Inhibition of LPS-induced TNFalpha release in human whole blood after 24 hrs by ... | 21958544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21958544 | 10.1016/j.bmcl.2011.09.006 | Liver microsomes | 3 |
| 21958544 | 10.1016/j.bmcl.2011.09.006 | Caco-2 | 2 |
| 21958544 | 10.1016/j.bmcl.2011.09.006 | Mitogen-activated protein kinase 14 | 1 |
| 21958544 | 10.1016/j.bmcl.2011.09.006 | Blood | 1 |
| 21958544 | 10.1016/j.bmcl.2011.09.006 | CHO | 1 |
Data from ChEMBL 36 via Core Engine