Compound Detail
CHEMBL5406071
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Basic Information
| ChEMBL ID | CHEMBL5406071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBLFJYYDDWJDKG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
2.71
ALogP
8
HBA
2
HBD
95.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 7.27 | 7.27 | 53.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human recombinant EHMT2 G9a using SAM as substrate incubated for 1... | 37021456 |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 53.32 | nM | 7.27 | Inhibition of human EZH2 using SAM as substrate incubated for 1 hr by microplate... | 37021456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37021456 | 10.1021/acs.jmedchem.3c00003 | RD | 1 |
| 37021456 | 10.1021/acs.jmedchem.3c00003 | SW982 | 1 |
| 37021456 | 10.1021/acs.jmedchem.3c00003 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 37021456 | 10.1021/acs.jmedchem.3c00003 | Histone-lysine N-methyltransferase EHMT2 | 1 |
Data from ChEMBL 36 via Core Engine