Compound Detail
CHEMBL4068811
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CN(C)C(=O)c1cccc2c([C@H]3CN(Cc4c(F)cccc4Br)C[C@@H]3N(C)C)cn(C)c12
Basic Information
| ChEMBL ID | CHEMBL4068811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZGMYQVZZUSPIU-XXBNENTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.4
MW (Da)
4.31
ALogP
4
HBA
0
HBD
31.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | Ki | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | Ki | = | 23.0 | nM | 7.64 | Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) a... | 28254486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28254486 | 10.1016/j.bmcl.2017.02.030 | Polycomb protein EED | 1 |
Data from ChEMBL 36 via Core Engine