Compound Detail
CHEMBL221269
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Basic Information
| ChEMBL ID | CHEMBL221269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQDSUQQVRVQHSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
5.71
ALogP
6
HBA
2
HBD
73.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 7.51 | 7.51 | 31.0 | 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 | = | 31.0 | nM | 7.51 | Inhibition of Tpl2 kinase by ELISA | 16973359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16973359 | 10.1016/j.bmcl.2006.08.102 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 16973359 | 10.1016/j.bmcl.2006.08.102 | Monocyte | 1 |
| 16973359 | 10.1016/j.bmcl.2006.08.102 | Blood | 1 |
Data from ChEMBL 36 via Core Engine