Compound Detail
CHEMBL4218417
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 | CHEMBL4218417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCMCHCVNRKLMAQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.59
ALogP
4
HBA
3
HBD
79.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 10 CHEMBL2873 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Protein delta homolog 1 CHEMBL5671 | IC50 | 6.92 | 6.92 | 119.0 | 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 | = | 7.0 | nM | 8.15 | Inhibition of recombinant GST-tagged full length human MLK3 KD expressed in bacu... | 29863360 |
| Mitogen-activated protein kinase kinase kinase 9 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of recombinant GST-tagged human MLK1 KD (1 to 500 residues) expressed... | 29863360 |
| Mitogen-activated protein kinase kinase kinase 10 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of recombinant GST-tagged full length human MLK2 KD/LZ expressed in b... | 29863360 |
| Protein delta homolog 1 | IC50 | = | 119.0 | nM | 6.92 | Inhibition of DLK (unknown origin) using myelin basic protein as substrate prein... | 29863360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29863360 | 10.1021/acs.jmedchem.8b00370 | Mitogen-activated protein kinase kinase kinase 11 | 1 |
| 29863360 | 10.1021/acs.jmedchem.8b00370 | Mitogen-activated protein kinase kinase kinase 10 | 1 |
| 29863360 | 10.1021/acs.jmedchem.8b00370 | Mitogen-activated protein kinase kinase kinase 9 | 1 |
| 29863360 | 10.1021/acs.jmedchem.8b00370 | Protein delta homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine