Compound Detail
CHEMBL5596522
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CCN(c1cc(-c2ccc3c(c2)N(C)C(=O)C32CCN(C(C)C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL5596522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIKUDQFVDIDPIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
653.9
MW (Da)
5.62
ALogP
6
HBA
2
HBD
98.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 1.01 | nM | 9.0 | Inhibition of EZH2 (unknown origin) | 37956762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37956762 | 10.1016/j.bmcl.2023.129558 | Histone-lysine N-methyltransferase EZH2 | 1 |
Data from ChEMBL 36 via Core Engine