Compound Detail
CHEMBL4093147
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Basic Information
| ChEMBL ID | CHEMBL4093147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XONOYNOZMFMROO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
3.61
ALogP
6
HBA
1
HBD
79.2
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 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | IC50 | 7.52 | 7.1 | 30.0 | 2 |
| KARPAS-422 CHEMBL2366368 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 29.0 | mL.min-1.kg-1 | Mus musculus |
| F | 42.0 | % | Mus musculus |
| Fu | 0.0281 | - | Mus musculus |
| T1/2 | 0.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknow... | 28092155 |
| KARPAS-422 | IC50 | = | 76.0 | nM | 7.12 | Antiproliferative activity against human KARPAS422 cells harboring monoallelic Y... | 28092155 |
| Polycomb protein EED | IC50 | = | 210.0 | nM | 6.68 | Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 l... | 28092155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28092155 | 10.1021/acs.jmedchem.6b01576 | Mus musculus | 7 |
| 28092155 | 10.1021/acs.jmedchem.6b01576 | Polycomb protein EED | 2 |
| 28092155 | 10.1021/acs.jmedchem.6b01576 | Plasma | 1 |
| 28092155 | 10.1021/acs.jmedchem.6b01576 | Liver | 1 |
| 28092155 | 10.1021/acs.jmedchem.6b01576 | KARPAS-422 | 1 |
Data from ChEMBL 36 via Core Engine