Compound Detail
CHEMBL4226302
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Basic Information
| ChEMBL ID | CHEMBL4226302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQJWMGJEEXBGSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
5.36
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of recombinant human FLAG-tagged p38alpha expressed in baculovirus ex... | 29291937 |
| MAP kinase p38 | IC50 | = | 88.0 | nM | 7.06 | Inhibition of MAPK p38 in human THP1 cells assessed as reduction in LPS-induced ... | 29291937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29291937 | 10.1016/j.bmc.2017.12.031 | Mitogen-activated protein kinase 14 | 1 |
| 29291937 | 10.1016/j.bmc.2017.12.031 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine