Compound Detail
CHEMBL6057832
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CSc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)c3c(c(C)c2C1=O)OC(C)(C12CCC(N(C)C)(CC1)CC2)O3
Basic Information
| ChEMBL ID | CHEMBL6057832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXLCYFIVMACFAK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
572.2
MW (Da)
5.71
ALogP
6
HBA
1
HBD
74.9
PSA (Ų)
0.46
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 15.0 | nM | 7.82 | Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds ... | - |
| Histone-lysine N-methyltransferase EZH1 | IC50 | = | 167.0 | nM | 6.78 | Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds ... | - |
Data from ChEMBL 36 via Core Engine