Compound Detail
CHEMBL2316490
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O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)ccc1F)c1ccsc1
Basic Information
| ChEMBL ID | CHEMBL2316490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNTVPTNIYRABDR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.7
MW (Da)
5.92
ALogP
7
HBA
2
HBD
79.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.52 | 8.55 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of p38alpha MAP kinase (unknown origin) by ELISA | 23270382 |
| Mitogen-activated protein kinase 14 | IC50 | = | 26.0 | nM | 7.58 | 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