Compound Detail
CHEMBL3393336
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 | CHEMBL3393336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRIIFYKTGXAZMR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.88
ALogP
7
HBA
1
HBD
77.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | IC50 | 6.85 | 6.85 | 141.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 448.0 | 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 | = | 8.0 | nM | 8.1 | Inhibition of DLK (unknown origin) | 25341110 |
| Mitogen-activated protein kinase kinase kinase 12 | IC50 | = | 141.0 | nM | 6.85 | Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylat... | 25341110 |
| Unchecked | IC50 | = | 448.0 | nM | 6.35 | Neuroprotective activity in E14.5 rat embryo DRG neurons | 25341110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25341110 | 10.1021/jm5013984 | Mitogen-activated protein kinase kinase kinase 12 | 2 |
| 25341110 | 10.1021/jm5013984 | MDCK | 2 |
| 25341110 | 10.1021/jm5013984 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine