Compound Detail
CHEMBL4869420
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1Cc2cc(C(F)(F)F)ncc2C2=CN=C(NCc3c(F)ccc4c3CCO4)N3C=NC(C1=O)C23
Basic Information
| ChEMBL ID | CHEMBL4869420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCDVIZNUALCVMH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
2.73
ALogP
7
HBA
1
HBD
82.4
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| KARPAS-422 CHEMBL2366368 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | IC50 | = | 0.6 | nM | 9.22 | Inhibition of biotinylated H3K27Me3 peptide (19 to 33 residues) binding to His-t... | 34613724 |
| KARPAS-422 | IC50 | = | 0.9 | nM | 9.05 | Growth inhibition of human KARPAS-422 cells assessed as cell growth incubated fo... | 34613724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34613724 | 10.1021/acs.jmedchem.1c01059 | ADMET | 3 |
| 34613724 | 10.1021/acs.jmedchem.1c01059 | KARPAS-422 | 1 |
| 34613724 | 10.1021/acs.jmedchem.1c01059 | Polycomb protein EED | 1 |
Data from ChEMBL 36 via Core Engine