Compound Detail
CHEMBL3393327
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Basic Information
| ChEMBL ID | CHEMBL3393327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTWFDDLIAWFRHM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.81
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 12 CHEMBL1908389 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.77 | 6.77 | 171.0 | 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 | = | 1.0 | nM | 9.0 | Inhibition of DLK (unknown origin) | 25341110 |
| Mitogen-activated protein kinase kinase kinase 12 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylat... | 25341110 |
| Unchecked | IC50 | = | 171.0 | nM | 6.77 | Neuroprotective activity in E14.5 rat embryo DRG neurons | 25341110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25341110 | 10.1021/jm5013984 | MDCK | 2 |
| 25341110 | 10.1021/jm5013984 | Mitogen-activated protein kinase kinase kinase 12 | 2 |
| 25341110 | 10.1021/jm5013984 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine