Compound Detail
CHEMBL4073166
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Cc1cccc(F)c1CN1C[C@H](C2CCN(c3cnc(C(N)=O)cn3)CC2)[C@@H](N(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL4073166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJCGLQBHOKKSIH-KNQAVFIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
2.30
ALogP
6
HBA
1
HBD
78.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | Ki | 9.19 | 9.19 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | Ki | = | 0.65 | nM | 9.19 | 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