Compound Detail
CHEMBL5196492
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CCN(c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C(=O)NCc2c3c(c(C)[nH]c2=O)CCCC3)c1C)C1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL5196492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZAYCVHJDOWSNY-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.8
MW (Da)
4.62
ALogP
7
HBA
2
HBD
93.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.4 | 8.108 | 4.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of EZH2 A677G mutant (unknown origin) by AlphaLISA assay | 35569264 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 5.6 | nM | 8.25 | Inhibition of wild-type EZH2 (unknown origin) by AlphaLISA assay | 35569264 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 5.6 | nM | 8.25 | Inhibition of wildtype EZH2 (unknown origin) by AlphaLISA methyltransferase assa... | 37156182 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of EZH2 Y641F mutant (unknown origin) by AlphaLISA assay | 35569264 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of EZH2 Y641F mutant (unknown origin) | 37156182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35569264 | 10.1016/j.ejmech.2022.114419 | Histone-lysine N-methyltransferase EZH2 | 3 |
| 37156182 | 10.1016/j.ejmech.2023.115461 | Histone-lysine N-methyltransferase EZH2 | 2 |
Data from ChEMBL 36 via Core Engine