Compound Detail
CHEMBL197164
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Basic Information
| ChEMBL ID | CHEMBL197164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNAFFKOTSISKMR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.3
MW (Da)
4.30
ALogP
7
HBA
2
HBD
86.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 5.0 | 5.0 | 10000.0 | 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 | = | 10000.0 | nM | 5.0 | Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphor... | 16165349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine