Compound Detail
CHEMBL594090
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Basic Information
| ChEMBL ID | CHEMBL594090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLYGLHMZWHBDED-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.91
ALogP
7
HBA
3
HBD
122.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of MK2 | 19926477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19926477 | 10.1016/j.bmcl.2009.10.103 | MAP kinase-activated protein kinase 2 | 1 |
| 19926477 | 10.1016/j.bmcl.2009.10.103 | NON-PROTEIN TARGET | 1 |
| 19926477 | 10.1016/j.bmcl.2009.10.103 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine