Compound Detail
CHEMBL272735
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Basic Information
| ChEMBL ID | CHEMBL272735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCHSZLGIZGOIKT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.15
ALogP
3
HBA
3
HBD
83.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
| Macrophage CHEMBL612578 | IC50 | 5.88 | 5.88 | 1326.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 131.0 | nM | 6.88 | Inhibition of human recombinant p38alpha | 18039577 |
| Macrophage | IC50 | = | 1326.0 | nM | 5.88 | Inhibition of LPS-stimulated TNFalpha production in mouse peritoneal macrophages | 18039577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18039577 | 10.1016/j.bmcl.2007.10.106 | Mitogen-activated protein kinase 14 | 2 |
| 18039577 | 10.1016/j.bmcl.2007.10.106 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine