Compound Detail
CHEMBL4100850
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Basic Information
| ChEMBL ID | CHEMBL4100850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOIISLHZHRZXMO-VGSWGCGISA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
4.32
ALogP
4
HBA
1
HBD
31.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.21
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Polycomb protein EED CHEMBL2189117 | Kd | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | Ki | = | 8.0 | nM | 8.1 | Binding affinity to GST tagged EED (unknown origin) after 1 hr by OG(488) probe ... | 28926243 |
| Polycomb protein EED | Kd | = | 61.0 | nM | 7.21 | Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assay | 28926243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28926243 | 10.1021/acs.jmedchem.7b00576 | Polycomb protein EED | 4 |
Data from ChEMBL 36 via Core Engine