Compound Detail
CHEMBL5206526
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Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3c(c2C)OC(C)(C2CCC(N4CC(OC5CC5)C4)CC2)O3)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5206526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCUBOIQTKFYDJW-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
576.5
MW (Da)
5.14
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.47
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.41
EC50 1 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 10.41 | 10.41 | 0.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 10.41 | 10.41 | 0.0 | 1 |
| HeLa CHEMBL399 | EC50 | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 0.039 | nM | 10.41 | Inhibition of EZH2 (unknown origin) | 35531606 |
| Unchecked | IC50 | = | 0.039 | nM | 10.41 | Biochemical Assay: EZH2 biochemical assay (IC50): Compound potencies were assess... | - |
| HeLa | EC50 | = | 0.52 | nM | 9.28 | Antiproliferative activity against human HeLa cells | 35531606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35531606 | 10.1021/acs.jmedchem.2c00047 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | KARPAS-422 | 1 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine