Compound Detail
CHEMBL5191615
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Basic Information
| ChEMBL ID | CHEMBL5191615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBMUWBUCVSKHLE-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
3.91
ALogP
8
HBA
2
HBD
91.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Kd 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 7.0 | 6.255 | 100.0 | 2 |
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 6.85 | 6.3 | 140.0 | 2 |
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | Kd | 6.1 | 6.1 | 790.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | Kd | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of G9a (unknown origin) | 39041067 |
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of GLP (unknown origin) | 39041067 |
| Histone-lysine N-methyltransferase EHMT1 | Kd | = | 790.0 | nM | 6.1 | Binding affinity to human GLP (982 to 1266 residues) assessed as dissociation co... | 35763668 |
| Histone-lysine N-methyltransferase EHMT2 | Kd | = | 790.0 | nM | 6.1 | Binding affinity to human G9a (913 to 1193 residues) assessed as dissociation co... | 35763668 |
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of human GLP (982 to 1266 residues) using H3 peptide as substrate mea... | 35763668 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human G9a (913 to 1193 residues) using H3 peptide as substrate mea... | 35763668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35763668 | 10.1021/acs.jmedchem.2c00652 | Histone-lysine N-methyltransferase EHMT2 | 3 |
| 35763668 | 10.1021/acs.jmedchem.2c00652 | Histone-lysine N-methyltransferase EHMT1 | 2 |
| 39041067 | 10.1021/acs.jmedchem.4c01192 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 39041067 | 10.1021/acs.jmedchem.4c01192 | Histone-lysine N-methyltransferase EHMT1 | 1 |
Data from ChEMBL 36 via Core Engine