Compound Detail
CHEMBL4527307
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CCCCC(CC)Cn1ncc2c(C(=O)NCc3c(CCC)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc21
Basic Information
| ChEMBL ID | CHEMBL4527307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPEPBNSJYBBCQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
639.9
MW (Da)
6.72
ALogP
7
HBA
2
HBD
99.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 5.95 | 5.95 | 1111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 1111.0 | nM | 5.95 | Inhibition of EZH2 histone methyltransferase activity of EZH2/EED/SUZ12 protein ... | 27468126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27468126 | 10.1021/acs.jmedchem.6b00855 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 27468126 | 10.1021/acs.jmedchem.6b00855 | Histone-lysine N-methyltransferase EZH1 | 1 |
Data from ChEMBL 36 via Core Engine