Compound Detail
CHEMBL494332
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Basic Information
| ChEMBL ID | CHEMBL494332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLSQWEFKXRIUSI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
4.10
ALogP
6
HBA
1
HBD
84.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.85 | 5.775 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibition of cJNK phosphorylation by pepJIP1 displacement DELFIA assay | 19282190 |
| Unchecked | IC50 | = | 20200.0 | nM | 4.7 | Inhibition of cJNK phosphorylation by Lantha screen assay | 19282190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19282190 | 10.1016/j.bmc.2009.02.046 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine