Compound Detail
CHEMBL460091
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Basic Information
| ChEMBL ID | CHEMBL460091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUNJRVUMXKHWBD-VAWYXSNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.07
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of human MK2 | 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 |
Data from ChEMBL 36 via Core Engine