Compound Detail
CHEMBL1802641
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Basic Information
| ChEMBL ID | CHEMBL1802641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNWRJCWLDQYAJY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.3
MW (Da)
3.62
ALogP
5
HBA
2
HBD
80.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 m... | 21641211 |
| PBMC | IC50 | = | 16.0 | nM | 7.8 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 21641211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21641211 | 10.1016/j.bmcl.2011.04.121 | Mitogen-activated protein kinase 14 | 1 |
| 21641211 | 10.1016/j.bmcl.2011.04.121 | PBMC | 1 |
| 21641211 | 10.1016/j.bmcl.2011.04.121 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine