Compound Detail
CHEMBL4088246
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O=C(NCc1nc2ccccc2[nH]1)c1ccc(-c2cnc(Nc3ccccc3)nc2OCC2CCNCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4088246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQJXLQRTWFSTIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
5.07
ALogP
7
HBA
4
HBD
116.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 1.1 | nM | 8.96 | Inhibition of MELK (unknown origin) containing kinase domain and UBA domain usin... | 28186750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28186750 | 10.1021/acs.jmedchem.7b00033 | Maternal embryonic leucine zipper kinase | 1 |
Data from ChEMBL 36 via Core Engine