Compound Detail
CHEMBL5172085
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Basic Information
| ChEMBL ID | CHEMBL5172085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJXNYIVGMQXAMD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
2.40
ALogP
6
HBA
2
HBD
89.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 8.24 | 8.02 | 5.7 | 2 |
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 6.39 | 6.39 | 403.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 5.7 | nM | 8.24 | Inhibition of G9a (unknown origin) assessed as effect on H3K9 methylation by cel... | 35718104 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 15.9 | nM | 7.8 | Inhibition of G9a (unknown origin) | 35718104 |
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 403.5 | nM | 6.39 | Inhibition of GLP (unknown origin) | 35718104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35718104 | 10.1016/j.bmcl.2022.128858 | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 35718104 | 10.1016/j.bmcl.2022.128858 | Histone-lysine N-methyltransferase EHMT1 | 1 |
| 35718104 | 10.1016/j.bmcl.2022.128858 | Unchecked | 1 |
| 35718104 | 10.1016/j.bmcl.2022.128858 | Histone-lysine N-methyltransferase SETDB1 | 1 |
| 35718104 | 10.1016/j.bmcl.2022.128858 | Histone-lysine N-methyltransferase SUV39H1 | 1 |
Data from ChEMBL 36 via Core Engine