Compound Detail
CHEMBL5979473
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CCN1CCN(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cnc(C#N)c34)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5979473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAISVTUAPAKOSV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.49
ALogP
9
HBA
1
HBD
94.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EZH2/SUZ12/EED complex CHEMBL3137286 | IC50 | 7.83 | 7.63 | 14.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EZH2/SUZ12/EED complex | IC50 | = | 14.8 | nM | 7.83 | ELISA (H3K27 Methylation) Assay: Representative compounds of the present inventi... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 24.9 | nM | 7.6 | EED-H3K27Me3 Peptide Competition Binding Assay by AlphaScreen: To assess the com... | - |
| EZH2/SUZ12/EED complex | IC50 | = | 35.1 | nM | 7.46 | EED LC-MS Assay: Representative compounds of the present invention were serially... | - |
Data from ChEMBL 36 via Core Engine