Compound Detail
CHEMBL1795683
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Basic Information
| ChEMBL ID | CHEMBL1795683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOMNCVPYKMGVHO-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
477.9
MW (Da)
3.41
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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 kinase | 21620699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Liver microsomes | 2 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Rattus norvegicus | 2 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Mitogen-activated protein kinase 14 | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | No relevant target | 1 |
| 21620699 | 10.1016/j.bmcl.2011.05.006 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine