Compound Detail
CHEMBL324091
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Basic Information
| ChEMBL ID | CHEMBL324091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGCOATSSMCKBMC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
4.94
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.66 | 6.66 | 219.8 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.66 | 6.3767 | 220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 219.79 | nM | 6.66 | Binding affinity against p38 MAP kinase system | 11585447 |
| Mitogen-activated protein kinase 14 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mi... | 24900264 |
| Mitogen-activated protein kinase 14 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1be... | 24900264 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFal... | 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