Compound Detail
CHEMBL199230
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Basic Information
| ChEMBL ID | CHEMBL199230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBDVISXWHNTJLP-CQSZACIVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
6.21
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 7.92 | 7.86 | 12.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 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 | = | 12.0 | nM | 7.92 | Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphor... | 16165349 |
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human Tpl2 by ELISA | 17848581 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA | 17664070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17848581 | 10.1074/jbc.m703694200 | Unchecked | 2 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Unchecked | 1 |
| 17848581 | 10.1074/jbc.m703694200 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine