Compound Detail
CHEMBL4071599
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O=C(NC(CO)(CO)CO)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4cccs4)c(F)cc3F)cc1OC2
Basic Information
| ChEMBL ID | CHEMBL4071599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZTFCXQTDZXUHY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.6
MW (Da)
3.59
ALogP
9
HBA
6
HBD
157.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.52 | 7.745 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of P38 alpha MAPK (unknown origin) by ELISA | 28834431 |
| Mitogen-activated protein kinase 14 | IC50 | = | 107.3 | nM | 6.97 | 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