Compound Detail
CHEMBL4635809
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CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(C)O)CC2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL4635809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFNLBVMSPMQAEB-LJQANCHMSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
4.64
ALogP
6
HBA
3
HBD
90.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.17
EC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 10.17 | 9.735 | 0.1 | 2 |
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | EC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 0.067 | nM | 10.17 | Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expre... | 32551002 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 0.5 | nM | 9.3 | EZH2 biochemical assay (IC50): Compound potencies were assessed through incorpor... | - |
| Histone-lysine N-methyltransferase EZH2 | EC50 | = | 26.0 | nM | 7.58 | Inhibition of EZH2 in human HeLa cells assessed as inhibition of trimethylation ... | 32551002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551002 | 10.1021/acsmedchemlett.0c00045 | Histone-lysine N-methyltransferase EZH2 | 3 |
Data from ChEMBL 36 via Core Engine