Compound Detail
CHEMBL5595949
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Basic Information
| ChEMBL ID | CHEMBL5595949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGAGSHBMXYRDJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
4.45
ALogP
8
HBA
1
HBD
86.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | IC50 | 5.96 | 5.96 | 1108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 166.0 | nM | 6.78 | Inhibition of G9a (unknown origin) by AlphaLISA assay | 39008565 |
| Histone-lysine N-methyltransferase NSD2 | IC50 | = | 1108.0 | nM | 5.96 | Inhibition of NSD2 (unknown origin) by AlphaLISA assay | 39008565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39008565 | 10.1021/acs.jmedchem.4c00640 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 39008565 | 10.1021/acs.jmedchem.4c00640 | Histone-lysine N-methyltransferase NSD2 | 1 |
Data from ChEMBL 36 via Core Engine