Compound Detail
CHEMBL455839
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Basic Information
| ChEMBL ID | CHEMBL455839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRNCNLRJMNWXRG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.1
MW (Da)
4.32
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.24 | 8.1 | 5.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.8 | nM | 8.24 | Inhibition of MEK-mediated phosphorylation of myelin basic protein by kinase cas... | 18952427 |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Binding affinity to MEK | 19019675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19019675 | 10.1016/j.bmcl.2008.10.108 | Unchecked | 1 |
| 18952427 | 10.1016/j.bmcl.2008.10.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine