Compound Detail
CHEMBL1825158
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Basic Information
| ChEMBL ID | CHEMBL1825158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXHGZEDOCKTIJR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.71
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.74 | 7.95 | 1.8 | 2 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay | 21813275 |
| Mitogen-activated protein kinase 14 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha p... | 21813275 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 105.0 | nM | 6.98 | Inhibition of human c-RAF | 21813275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21813275 | 10.1016/j.bmcl.2011.07.033 | ADMET | 4 |
| 21813275 | 10.1016/j.bmcl.2011.07.033 | Mitogen-activated protein kinase 14 | 2 |
| 21813275 | 10.1016/j.bmcl.2011.07.033 | Caco-2 | 2 |
| 21813275 | 10.1016/j.bmcl.2011.07.033 | CHO | 1 |
| 21813275 | 10.1016/j.bmcl.2011.07.033 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine