Compound Detail
CHEMBL5988229
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Basic Information
| ChEMBL ID | CHEMBL5988229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPNXCHNXDBXYIB-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
3.19
ALogP
8
HBA
1
HBD
98.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | IC50 | 8.43 | 8.0933 | 3.7 | 3 |
| EZH2/SUZ12/EED complex CHEMBL3137286 | IC50 | 8.43 | 8.0933 | 3.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EZH2/SUZ12/EED complex | IC50 | = | 3.7 | nM | 8.43 | ELISA Assay: Cell lysates were transferred to the wells of a 384-well plate and ... | - |
| Polycomb protein EED | IC50 | = | 3.7 | nM | 8.43 | ELISA (H3K27 Methylation) Assay: Representative compounds of the present disclos... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 8.6 | nM | 8.07 | AlphaScreen: To assess the compounds potency in the EED-H3K27Me3 competition bin... | - |
| Polycomb protein EED | IC50 | = | 8.6 | nM | 8.07 | EED-H3K27Me3 Peptide Competition Binding Assay by AlphaScreen: To assess the com... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 16.5 | nM | 7.78 | LC-MS Assay: Representative compounds of the present disclosure were serially an... | - |
| Polycomb protein EED | IC50 | = | 16.5 | nM | 7.78 | EED LC-MS Assay: Representative compounds of the present disclosure were seriall... | - |
Data from ChEMBL 36 via Core Engine