Compound Detail
CHEMBL5647122
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Cc1cc(C)c(CNC(=O)c2cc(-c3cccc4ccccc34)cc3[nH]c(=O)ccc23)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5647122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URXYNEQSEHKSSY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.58
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.13 | 8.02 | 7.4 | 2 |
| A549 CHEMBL392 | IC50 | 4.52 | 4.52 | 30320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 7.42 | nM | 8.13 | Inhibition of EZH2 (unknown origin) | 38580135 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 12.21 | nM | 7.91 | Inhibition of EZH2 Y641F mutant (unknown origin) | 38580135 |
| A549 | IC50 | = | 30320.0 | nM | 4.52 | Antiproliferative activity against human A549 cells by MTT assay | 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