Compound Detail
CHEMBL5945420
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Basic Information
| ChEMBL ID | CHEMBL5945420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORRSIPZEJAGGKP-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.66
ALogP
7
HBA
1
HBD
88.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EZH2/SUZ12/EED complex CHEMBL3137286 | IC50 | 8.27 | 7.9133 | 5.4 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EZH2/SUZ12/EED complex | IC50 | = | 5.4 | nM | 8.27 | EED-H3K27Me3 Peptide Competition Binding Assay by AlphaScreen: To assess the com... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 6.8 | nM | 8.17 | EED LC-MS Assay: Representative compounds of the present invention were serially... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 9.0 | nM | 8.05 | EED-H3K27Me3 Peptide Competition Binding Assay by AlphaScreen: To assess the com... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 14.1 | nM | 7.85 | EED LC-MS Assay: Representative compounds of the present invention were serially... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 14.7 | nM | 7.83 | ELISA (H3K27 Methylation) Assay: Representative compounds of the present inventi... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 48.9 | nM | 7.31 | ELISA (H3K27 Methylation) Assay: Representative compounds of the present inventi... | - |
Data from ChEMBL 36 via Core Engine