Compound Detail
CHEMBL453890
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Basic Information
| ChEMBL ID | CHEMBL453890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGXUEXUZCRYPLV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.2
MW (Da)
4.69
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.19 | 7.7 | 6.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.48 | nM | 8.19 | Inhibition of MEK-mediated ERK phosphorylation in PDGF-stimulated mouse K-Balb c... | 18952427 |
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Inhibition of MEK-mediated phosphorylation of myelin basic protein by kinase cas... | 18952427 |
| Unchecked | IC50 | = | 172.0 | nM | 6.76 | Inhibition of MEK-mediated ERK phosphorylation in PDGF-stimulated mouse K-Balb c... | 18952427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18952427 | 10.1016/j.bmcl.2008.10.054 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine