Compound Detail
CHEMBL4474589
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Basic Information
| ChEMBL ID | CHEMBL4474589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHJFYUNXDIIBIK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
3.35
ALogP
8
HBA
1
HBD
69.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 6.02 | 6.02 | 953.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 5.32 | 5.32 | 4780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 953.0 | nM | 6.02 | Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residue... | 31350126 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 4780.0 | nM | 5.32 | Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residue... | 31350126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31350126 | 10.1016/j.bmcl.2019.06.012 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 31350126 | 10.1016/j.bmcl.2019.06.012 | Histone-lysine N-methyltransferase EHMT1 | 1 |
| 31350126 | 10.1016/j.bmcl.2019.06.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine