Compound Detail
CHEMBL4070157
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Basic Information
| ChEMBL ID | CHEMBL4070157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLWMRHSBKUBVRZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.60
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | IC50 | 6.94 | 6.76 | 115.0 | 2 |
| KARPAS-422 CHEMBL2366368 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | IC50 | = | 115.0 | nM | 6.94 | Inhibition of EED ( 1 to 441 residues) (unknown origin) pre-incubated for 15 min... | 32580550 |
| Polycomb protein EED | IC50 | = | 260.0 | nM | 6.58 | Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknow... | 28092155 |
| KARPAS-422 | IC50 | = | 2600.0 | nM | 5.58 | Growth inhibition of human KARPAS422 cells incubated for 7 days by WST8 assay | 32580550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28092155 | 10.1021/acs.jmedchem.6b01576 | Polycomb protein EED | 1 |
| 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