Compound Detail
CHEMBL4103354
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4103354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKNBLAXWKGGOHU-KNQAVFIVSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
3.85
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | Ki | 6.48 | 6.48 | 330.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16666.67 | 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 | = | 330.0 | nM | 6.48 | Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) a... | 28254486 |
| Polycomb protein EED | Ki | = | 330.0 | nM | 6.48 | Binding affinity to EED (unknown origin) by TR-FRET based binding assay | 33283516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28254486 | 10.1016/j.bmcl.2017.02.030 | Liver | 1 |
| 28254486 | 10.1016/j.bmcl.2017.02.030 | Polycomb protein EED | 1 |
| 33283516 | 10.1021/acs.jmedchem.0c01344 | Polycomb protein EED | 1 |
Data from ChEMBL 36 via Core Engine