Compound Detail
CHEMBL3605450
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Basic Information
| ChEMBL ID | CHEMBL3605450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIRTTWLRGQQVTR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.18
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 6.8 | 6.545 | 159.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 966.0 | mL.min-1.g-1 | Mus musculus |
| CL | 156.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 64.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 116.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 159.0 | nM | 6.8 | Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 acti... | 26189078 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 512.0 | nM | 6.29 | Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, ... | 26189078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26189078 | 10.1016/j.bmcl.2015.06.056 | Plasma | 4 |
| 26189078 | 10.1016/j.bmcl.2015.06.056 | Histone-lysine N-methyltransferase EZH2 | 3 |
| 26189078 | 10.1016/j.bmcl.2015.06.056 | Liver microsome | 3 |
| 26189078 | 10.1016/j.bmcl.2015.06.056 | Liver | 1 |
Data from ChEMBL 36 via Core Engine