Compound Detail
CHEMBL2316484
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CC1(C)OC[C@@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)cc2CC3)O1
Basic Information
| ChEMBL ID | CHEMBL2316484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQVRAEPPICSJIX-HHHXNRCGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.6
MW (Da)
6.68
ALogP
6
HBA
2
HBD
85.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.57 | 6.96 | 27.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of p38alpha MAP kinase (unknown origin) by ELISA | 23270382 |
| Mitogen-activated protein kinase 14 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as li... | 23270382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270382 | 10.1021/jm301539x | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine