Compound Detail
CHEMBL5840996
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Cc1cc(C)c(CN2CCc3c(C)c4c(c(C)c3C2=O)OC(C)(C23CCC(N(C)C)(CC2)CC3)O4)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5840996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHSSNFZJCXGEOC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.7
MW (Da)
4.95
ALogP
5
HBA
1
HBD
74.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 0.59 | nM | 9.23 | Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds ... | - |
| Histone-lysine N-methyltransferase EZH1 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds ... | - |
Data from ChEMBL 36 via Core Engine