Compound Detail
CHEMBL4072511
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O=C(NCCO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)c(NC(=O)C4CC4)c3)cc1OC2
Basic Information
| ChEMBL ID | CHEMBL4072511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXEMMTBFSJRDKG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
3.76
ALogP
6
HBA
4
HBD
116.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.62 | 6.705 | 23.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 23.8 | nM | 7.62 | Inhibition of P38 alpha MAPK (unknown origin) by ELISA | 28834431 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1613.6 | nM | 5.79 | 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