Compound Detail
CHEMBL4755687
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Basic Information
| ChEMBL ID | CHEMBL4755687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHAQTENVDNMYIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
2.86
ALogP
8
HBA
2
HBD
106.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.43
Kd 1 meas. best 9.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | Kd | 9.61 | 9.61 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | Kd | = | 0.2455 | nM | 9.61 | Binding affinity to PRC2 catalytic core EED (unknown origin) by surface plasmon ... | 32871345 |
| Unchecked | IC50 | = | 3.715 | nM | 8.43 | Inhibition of PRC2 catalytic core MTase activity (unknown origin) by MTase Glo a... | 32871345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33283516 | 10.1021/acs.jmedchem.0c01344 | ADMET | 2 |
| 33283516 | 10.1021/acs.jmedchem.0c01344 | KARPAS-422 | 1 |
| 32871345 | 10.1016/j.ejmech.2020.112750 | Polycomb protein EED | 1 |
| 32871345 | 10.1016/j.ejmech.2020.112750 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine