Compound Detail
CHEMBL3605438
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Basic Information
| ChEMBL ID | CHEMBL3605438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMBHNILDGJPMCU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
1.70
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 4.41 | 4.4067 | 39000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 acti... | 26189078 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of wild-type EZH2 (unknown origin) | 35531606 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 39600.0 | nM | 4.4 | Inhibition of wild type EZH2 (unknown origin) using histone H3 peptide (17 to 38... | 33283516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26189078 | 10.1016/j.bmcl.2015.06.056 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 33283516 | 10.1021/acs.jmedchem.0c01344 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | Histone-lysine N-methyltransferase EZH2 | 1 |
Data from ChEMBL 36 via Core Engine