Compound Detail
CHEMBL380849
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Basic Information
| ChEMBL ID | CHEMBL380849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNQCAQKAWQPMQN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
2.36
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.72 | 6.3167 | 190.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of LPS-induced TNFalpha production in THP1 cells | 16509574 |
| Mitogen-activated protein kinase 14 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of LPS-induced IL1-beta production in human whole blood | 16509574 |
| Mitogen-activated protein kinase 14 | IC50 | = | 850.0 | nM | 6.07 | Displacement of [33P] ATP from human recombinant active p38alpha | 16509574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509574 | 10.1021/jm050736c | Mitogen-activated protein kinase 14 | 3 |
Data from ChEMBL 36 via Core Engine