Compound Detail
CHEMBL4637975
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Basic Information
| ChEMBL ID | CHEMBL4637975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVLDOBSHHBLLPT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.12
ALogP
7
HBA
1
HBD
77.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| KARPAS-422 CHEMBL2366368 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | IC50 | = | 29.0 | nM | 7.54 | Inhibition of EED ( 1 to 441 residues) (unknown origin) pre-incubated for 15 min... | 32580550 |
| KARPAS-422 | IC50 | = | 210.0 | nM | 6.68 | Growth inhibition of human KARPAS422 cells incubated for 7 days by WST8 assay | 32580550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32580550 | 10.1021/acs.jmedchem.0c00479 | Polycomb protein EED | 1 |
| 32580550 | 10.1021/acs.jmedchem.0c00479 | KARPAS-422 | 1 |
Data from ChEMBL 36 via Core Engine