Compound Detail
CHEMBL4632988
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Cc1cc(Cl)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4632988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWKKEQVQYCLQIB-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.0
MW (Da)
5.37
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.46
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expre... | 32551002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551002 | 10.1021/acsmedchemlett.0c00045 | Histone-lysine N-methyltransferase EZH2 | 2 |
Data from ChEMBL 36 via Core Engine