Compound Detail
CHEMBL3414629
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CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)CC3)nc2)cc2c1cnn2C(C)C
Basic Information
| ChEMBL ID | CHEMBL3414629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSDIDGKZEPMSHC-FRQYIUQJSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1353.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 7.77 | 7.77 | 17.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of EZH2 (unknown origin) using biotinylated-histone H3 (1 to 24) as s... | 25406853 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of EZH2 (unknown origin) | 35531606 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of EZH2 methyltransferase activity (unknown origin) in PRC2 complex u... | 23614352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614352 | 10.1021/cb400133j | Histone-lysine N-methyltransferase EZH2 | 3 |
| 25406853 | 10.1021/jm501234a | Histone-lysine N-methyltransferase EZH2 | 1 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | Histone-lysine N-methyltransferase EZH2 | 1 |
Data from ChEMBL 36 via Core Engine