Compound Detail
CHEMBL1773425
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Basic Information
| ChEMBL ID | CHEMBL1773425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLSURCXVAOWAFT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.96
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.43 | 7.39 | 37.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.82 | 6.82 | 152.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of... | 21449619 |
| Mitogen-activated protein kinase 14 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr... | 31096153 |
| Glycogen synthase kinase-3 beta | IC50 | = | 152.0 | nM | 6.82 | Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPS... | 31096153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21449619 | 10.1021/jm101623p | Mitogen-activated protein kinase 14 | 3 |
| 31096153 | 10.1016/j.ejmech.2019.04.035 | Mitogen-activated protein kinase 14 | 1 |
| 31096153 | 10.1016/j.ejmech.2019.04.035 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine