Compound Detail
CHEMBL4569399
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Basic Information
| ChEMBL ID | CHEMBL4569399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKZXBIXAKYLFRD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.96
ALogP
5
HBA
3
HBD
91.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 6.21 | 6.21 | 613.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of EZH2 histone methyltransferase activity of EZH2/EED/SUZ12 protein ... | 27468126 |
| Histone-lysine N-methyltransferase EZH1 | IC50 | = | 613.0 | nM | 6.21 | Inhibition of EZH1 histone methyltransferase activity of EZH1/EED/SUZ12/RBBP4/AE... | 27468126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27468126 | 10.1021/acs.jmedchem.6b00855 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 27468126 | 10.1021/acs.jmedchem.6b00855 | Histone-lysine N-methyltransferase EZH1 | 1 |
Data from ChEMBL 36 via Core Engine