Compound Detail
CHEMBL114962
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Basic Information
| ChEMBL ID | CHEMBL114962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFUFMZSHXMMPCK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
5.35
ALogP
5
HBA
0
HBD
47.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.36 | 6.2833 | 440.0 | 3 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.35 | 6.35 | 449.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1be... | 24900264 |
| MAP kinase p38 | IC50 | = | 449.78 | nM | 6.35 | Binding affinity against p38 MAP kinase system | 11585447 |
| Mitogen-activated protein kinase 14 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mi... | 24900264 |
| Mitogen-activated protein kinase 14 | IC50 | = | 720.0 | nM | 6.14 | 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