Compound Detail
CHEMBL5829072
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CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCN(CC(C)(C)O)CC3)cc2c1C(=O)NCc1c(C)cc(C)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL5829072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVNQRRICWMZBGX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
621.8
MW (Da)
4.12
ALogP
8
HBA
3
HBD
114.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.25 | 8.25 | 5.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 5.6 | nM | 8.25 | Biological Assay: The activity of EZH2 enzyme (with A677G mutant or Y641F mutant... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 5.6 | nM | 8.25 | Assay for Determining the Activity of the Example Compounds of the Present Inven... | - |
Data from ChEMBL 36 via Core Engine