Compound Detail
CHEMBL4075402
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
CC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(N(C)C(=O)CN3CCN(C)CC3)cc1)c1ccccc1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4075402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NABPPRSCLJJIEZ-FLWNBWAVSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
4.03
ALogP
6
HBA
2
HBD
85.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.45
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 6.45 | 6.45 | 354.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | Ki | = | 46.0 | nM | 7.34 | Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown ori... | 28351607 |
| Maternal embryonic leucine zipper kinase | IC50 | = | 354.0 | nM | 6.45 | Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown ori... | 28351607 |
| Maternal embryonic leucine zipper kinase | IC50 | = | 354.0 | nM | 6.45 | Characterization of Hits and Compound 15 (MELK-In-1) Derivatives: The top 10 hit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28351607 | 10.1016/j.bmc.2017.03.018 | Maternal embryonic leucine zipper kinase | 2 |
Data from ChEMBL 36 via Core Engine