Compound Detail
CHEMBL5187783
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CCN(c1cc(-c2ccc(OCCOC)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL5187783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAYHRYAVXZWUIJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
5.62
ALogP
6
HBA
2
HBD
86.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WSUDLCL2 CHEMBL5058628 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WSUDLCL2 | IC50 | = | 23.0 | nM | 7.64 | Antiproliferative activity against human WSUDLCL2 cells | 35531606 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of EZH2 (unknown origin) assessed as reduction in H3K27me3 level | 35531606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35531606 | 10.1021/acs.jmedchem.2c00047 | Histone-lysine N-methyltransferase EZH2 | 2 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | WSUDLCL2 | 1 |
Data from ChEMBL 36 via Core Engine