Compound Detail
CHEMBL4077934
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COc1ccc2nc(CNC(=O)c3ccc(-c4cnc(Nc5ccccc5)nc4OCC4CCNCC4)cc3)[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL4077934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMGDQRPQGXBNGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
5.08
ALogP
8
HBA
4
HBD
126.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 0.15 | nM | 9.82 | 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