Compound Detail
CHEMBL331361
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Basic Information
| ChEMBL ID | CHEMBL331361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNJHLGWWUWJPCC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
5.83
ALogP
5
HBA
0
HBD
47.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.58 | 6.58 | 264.9 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.58 | 6.4133 | 260.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 264.85 | nM | 6.58 | Binding affinity against p38 MAP kinase system | 11585447 |
| Mitogen-activated protein kinase 14 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mi... | 24900264 |
| Mitogen-activated protein kinase 14 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFal... | 24900264 |
| Mitogen-activated protein kinase 14 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1be... | 24900264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900264 | 10.1021/ml2001455 | Mitogen-activated protein kinase 14 | 3 |
| 11585447 | 10.1021/jm0100279 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine