Compound Detail
CHEMBL5575058
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CNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(Br)cc(NCc2nc[nH]c2C)c1
Basic Information
| ChEMBL ID | CHEMBL5575058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSDQDWWAVUDZOY-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.8
MW (Da)
3.83
ALogP
4
HBA
4
HBD
98.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 CHEMBL3883320 | IC50 | 7.6 | 7.6 | 25.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase 2A/WDR5 | IC50 | = | 25.2 | nM | 7.6 | Inhibition of MLL1/WDR5 (unknown origin) protein-protein interaction incubated f... | 38166388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38166388 | 10.1021/acs.jmedchem.3c01463 | Histone-lysine N-methyltransferase 2A/WDR5 | 1 |
Data from ChEMBL 36 via Core Engine