Compound Detail
CHEMBL3946376
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Basic Information
| ChEMBL ID | CHEMBL3946376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTJXTITVXVPYAE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.09
ALogP
4
HBA
2
HBD
74.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 7.9 | 7.2767 | 12.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 12.7 | nM | 7.9 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 88.2 | nM | 7.05 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 132.0 | nM | 6.88 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
Data from ChEMBL 36 via Core Engine