Compound Detail
CHEMBL4459106
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CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)C[C@H]1OCC1CCCCC1)OC
Basic Information
| ChEMBL ID | CHEMBL4459106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBYCFPKMFURULR-NSRVOCPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
680.9
MW (Da)
7.23
ALogP
9
HBA
4
HBD
144.1
PSA (Ų)
0.05
QED
2
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosett... | 31274316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31274316 | 10.1021/acs.jmedchem.9b00089 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine