Compound Detail
CHEMBL438628
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 | CHEMBL438628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYZNEDVUQBPGQA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.53
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.23 | 5.8167 | 590.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 590.0 | nM | 6.23 | Displacement of [33P] ATP from human recombinant active p38alpha | 16509574 |
| Mitogen-activated protein kinase 14 | IC50 | = | 920.0 | nM | 6.04 | Inhibition of LPS-induced IL1-beta production in human whole blood | 16509574 |
| Mitogen-activated protein kinase 14 | IC50 | = | 6590.0 | nM | 5.18 | Inhibition of LPS-induced TNFalpha production in THP1 cells | 16509574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509574 | 10.1021/jm050736c | Mitogen-activated protein kinase 14 | 3 |
| 16509574 | 10.1021/jm050736c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine