Compound Detail
CHEMBL4852631
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Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2CCN3C(=O)C2CCOCC2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4852631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVFZELSHEYYDNN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
3.74
ALogP
6
HBA
2
HBD
104.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 6.39 | 5.8 | 404.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 404.2 | nM | 6.39 | Inhibition of EZH2 (unknown origin) using SAM as substrate incubated for 60 mins... | 34664960 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 6219.0 | nM | 5.21 | Inhibition of EZH2 Y641F mutant (unknown origin) using SAM as substrate incubate... | 34664960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34664960 | 10.1021/acs.jmedchem.1c01154 | Histone-lysine N-methyltransferase EZH2 | 2 |
| 34664960 | 10.1021/acs.jmedchem.1c01154 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine