Compound Detail
CHEMBL199000
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Basic Information
| ChEMBL ID | CHEMBL199000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZSGXMBGJBAMDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.8
MW (Da)
5.39
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA | 17664070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine