Compound Detail
CHEMBL3770000
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Basic Information
| ChEMBL ID | CHEMBL3770000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FADJTYGNEWCCFM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
4.00
ALogP
4
HBA
2
HBD
74.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.0 | 7.98 | 10.0 | 2 |
| EZH1/SUZ12/EED/AEBP2/RBBP4 complex CHEMBL3137287 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleo... | 26769278 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of EZH2 (unknown origin) | 37956762 |
| EZH1/SUZ12/EED/AEBP2/RBBP4 complex | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP4... | 29456795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26769278 | 10.1021/acs.jmedchem.5b01501 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 29456795 | 10.1021/acsmedchemlett.7b00437 | Pfeiffer | 1 |
| 29456795 | 10.1021/acsmedchemlett.7b00437 | EZH1/SUZ12/EED/AEBP2/RBBP4 complex | 1 |
| 37956762 | 10.1016/j.bmcl.2023.129558 | Histone-lysine N-methyltransferase EZH2 | 1 |
Data from ChEMBL 36 via Core Engine