Compound Detail
CHEMBL447345
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Basic Information
| ChEMBL ID | CHEMBL447345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCADPEDUULETPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
2.98
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Inhibition of MEK-stimulated ERK phosphorylation in PDGF-stimulated mouse C26 ce... | 18952427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19402821 | 10.1042/bj20090489 | Mitogen-activated protein kinase; ERK1/ERK2 | 5 |
| 18952427 | 10.1016/j.bmcl.2008.10.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine