Compound Detail
CHEMBL4059553
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Cc1cccc(F)c1CN1C[C@H](c2ccc(N3CCN(c4ccccn4)CC3)cc2)[C@@H](N(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL4059553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMSIIOOXZUWIAD-IAPPQJPRSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
4.39
ALogP
5
HBA
0
HBD
25.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | Ki | 8.68 | 8.68 | 2.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 165000.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | Ki | = | 2.1 | nM | 8.68 | 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 |
| 28254486 | 10.1016/j.bmcl.2017.02.030 | Liver | 1 |
Data from ChEMBL 36 via Core Engine