Compound Detail
CHEMBL3393322
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Basic Information
| ChEMBL ID | CHEMBL3393322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXJPOSRRJBJZRJ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
3.95
ALogP
6
HBA
2
HBD
66.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Ki | 8.7 | 8.655 | 2.0 | 2 |
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 2.0 | nM | 8.7 | Inhibition of DLK (unknown origin) | 25341110 |
| Mitogen-activated protein kinase kinase kinase 12 | Ki | = | 2.43 | nM | 8.61 | TR-FRET assay: DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tag... | - |
| Mitogen-activated protein kinase kinase kinase 12 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylat... | 25341110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25341110 | 10.1021/jm5013984 | Mitogen-activated protein kinase kinase kinase 12 | 2 |
Data from ChEMBL 36 via Core Engine