Compound Detail
CHEMBL516504
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Basic Information
| ChEMBL ID | CHEMBL516504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQODTFJRZZFYAA-ZZXKWVIFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
3.62
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human MK2 | 18945615 |
| PBMC | IC50 | = | 350.0 | nM | 6.46 | Inhibition of LPS-stimulated TNFalpha release from human PBMC after 3 hrs | 18945615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18945615 | 10.1016/j.bmcl.2008.10.039 | MAP kinase-activated protein kinase 2 | 1 |
| 18945615 | 10.1016/j.bmcl.2008.10.039 | PBMC | 1 |
| 18945615 | 10.1016/j.bmcl.2008.10.039 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine