Compound Detail
CHEMBL279587
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Basic Information
| ChEMBL ID | CHEMBL279587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJRQWYZLSMKAKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.87
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 220.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 220.0 | nM | 6.66 | Inhibitory concentration against mitogen-activated protein kinase p38 alpha | 11354358 |
| MAP kinase p38 | IC50 | = | 220.0 | nM | 6.66 | Compound was tested for inhibition of p38 MAP kinase | 9873686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354358 | 10.1016/s0960-894x(01)00163-9 | Mitogen-activated protein kinase 14 | 1 |
| 9873686 | 10.1016/s0960-894x(98)00549-6 | MAP kinase p38 | 1 |
| 9873686 | 10.1016/s0960-894x(98)00549-6 | Cytochrome P450 2D6 | 1 |
| 9873686 | 10.1016/s0960-894x(98)00549-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine