Compound Detail
CHEMBL4088396
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O=C(NCCN1CCOCC1)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)C4CC4)c(F)cc3F)cc1CC2
Basic Information
| ChEMBL ID | CHEMBL4088396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCZDUZXIEGGVNP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
4.45
ALogP
6
HBA
3
HBD
99.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.62 | 7.975 | 2.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of P38 alpha MAPK (unknown origin) by ELISA | 28834431 |
| Mitogen-activated protein kinase 14 | IC50 | = | 47.2 | nM | 7.33 | Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-a... | 28834431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28834431 | 10.1021/acs.jmedchem.7b00745 | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine