Compound Detail
CHEMBL426719
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL426719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOZKSGRZZQMRCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
4.46
ALogP
2
HBA
2
HBD
58.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872 | IC50 | 6.51 | 6.51 | 308.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of GST-MLK3 expressed in baculovirus | 17266195 |
| Mitogen-activated protein kinase kinase kinase 9 | IC50 | = | 308.0 | nM | 6.51 | Inhibition of GST-MLK1 expressed in baculovirus | 17266195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase kinase kinase 9 | 1 |
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase kinase kinase 11 | 1 |
| 17266195 | 10.1021/jm051074u | Choline O-acetyltransferase | 1 |
Data from ChEMBL 36 via Core Engine