Compound Detail
CHEMBL221330
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Basic Information
| ChEMBL ID | CHEMBL221330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMVPOWYTXTZCMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
4.39
ALogP
6
HBA
2
HBD
73.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Tpl2 kinase by ELISA | 16973359 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA | 17664070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16973359 | 10.1016/j.bmcl.2006.08.102 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine