Compound Detail
CHEMBL3605439
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Cc1cc(C)c(CNC(=O)c2ccc(Oc3cccc(-c4ccncn4)c3C#N)c(Cl)c2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL3605439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWVVNHHXNLVAKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.9
MW (Da)
4.70
ALogP
6
HBA
2
HBD
120.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 acti... | 26189078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26189078 | 10.1016/j.bmcl.2015.06.056 | Histone-lysine N-methyltransferase EZH2 | 1 |
Data from ChEMBL 36 via Core Engine