Compound Detail
CHEMBL6032817
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Cc1cc(C)c(CN2CCc3c(c(C)c4c(c3-c3ccco3)O[C@](C)([C@H]3CC[C@H](N(C)C)CC3)O4)C2=O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL6032817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIFGDRAXMCFCSA-VOSQCMCKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
5.37
ALogP
6
HBA
1
HBD
88.0
PSA (Ų)
0.46
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 1.21 | nM | 8.92 | Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds ... | - |
| Histone-lysine N-methyltransferase EZH1 | IC50 | = | 8.31 | nM | 8.08 | Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds ... | - |
Data from ChEMBL 36 via Core Engine