Compound Detail
CHEMBL3770922
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Cc1cc(C)c(CNC(=O)c2cc(C3=CC(C)(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL3770922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYBBRFWPVYYAMU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.18
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.19 | 6.19 | 650.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleo... | 26769278 |
| Unchecked | IC50 | = | 650.0 | nM | 6.19 | Enzyme Assay: Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-co... | - |
| Unchecked | IC50 | = | 650.0 | nM | 6.19 | Wild-Type PRC2 Enzyme Assay: eneral Procedure for Wild-Type PRC2 Enzyme Assay on... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26769278 | 10.1021/acs.jmedchem.5b01501 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 26769278 | 10.1021/acs.jmedchem.5b01501 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine