Compound Detail
CHEMBL3945718
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Basic Information
| ChEMBL ID | CHEMBL3945718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COKYRVNIWHYRPM-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.1
MW (Da)
4.45
ALogP
4
HBA
2
HBD
68.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 7.84 | 7.5575 | 14.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 14.6 | nM | 7.84 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 17.8 | nM | 7.75 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 35.1 | nM | 7.46 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 65.7 | nM | 7.18 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
Data from ChEMBL 36 via Core Engine