Compound Detail
CHEMBL5647466
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Cc1cc(C)c(CNC(=O)c2cc(-c3ccc4ncccc4c3)cc3[nH]c(=O)ccc23)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5647466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVKOPVQOKWZMQB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
3.98
ALogP
4
HBA
3
HBD
107.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.09 | 8.01 | 8.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 8.23 | nM | 8.09 | Inhibition of EZH2 (unknown origin) | 38580135 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 11.65 | nM | 7.93 | Inhibition of EZH2 Y641F mutant (unknown origin) | 38580135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38580135 | 10.1016/j.bmcl.2024.129726 | Histone-lysine N-methyltransferase EZH2 | 2 |
| 38580135 | 10.1016/j.bmcl.2024.129726 | A549 | 1 |
| 38580135 | 10.1016/j.bmcl.2024.129726 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine