Compound Detail
CHEMBL3824328
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Basic Information
| ChEMBL ID | CHEMBL3824328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAPLRSAIGLOIBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.29
ALogP
7
HBA
1
HBD
64.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 0.3 | nM | 9.52 | Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins fo... | 27187609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27187609 | 10.1021/acs.jmedchem.6b00052 | Maternal embryonic leucine zipper kinase | 2 |
Data from ChEMBL 36 via Core Engine