Compound Detail
CHEMBL462476
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Basic Information
| ChEMBL ID | CHEMBL462476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKGCSMGQINZWAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
5.21
ALogP
5
HBA
3
HBD
73.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Blood CHEMBL613416 | IC50 | 6.84 | 6.84 | 145.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of p38alpha | 18763757 |
| Blood | IC50 | = | 145.0 | nM | 6.84 | Inhibition of LPS-stimulated TNFalpha release in human whole blood by ELISA | 18763757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18763757 | 10.1021/jm800373t | Mitogen-activated protein kinase 14 | 1 |
| 18763757 | 10.1021/jm800373t | Blood | 1 |
Data from ChEMBL 36 via Core Engine