Compound Detail
CHEMBL578227
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL578227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZOJJUVZAJGNQV-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
2.30
ALogP
8
HBA
1
HBD
66.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 8.05 | 6.858 | 9.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unkno... | 28135087 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of recombinant G9a catalytic SET domain (913 to 1193 residues) (unkno... | 28135087 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of G9a by Alpha screen assay | 19891491 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of G9a (913 to 1193 residues) (unknown origin) using biotin-ARTKQTARK... | 29308121 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of G9a by Thioglo assay | 19891491 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of G9a (913 to 1193 residues) (unknown origin) using peptide H3 (1 to... | 29308121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19891491 | 10.1021/jm901543m | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 20614940 | 10.1021/jm100478y | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 29308121 | 10.1039/C7MD00052A | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 28135087 | 10.1021/acs.jmedchem.6b01645 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 28135087 | 10.1021/acs.jmedchem.6b01645 | Histone-lysine N-methyltransferase EHMT1 | 1 |
| 29308121 | 10.1039/C7MD00052A | Plasmodium falciparum | 1 |
| 29308121 | 10.1039/C7MD00052A | HepG2 | 1 |
| 29308121 | 10.1039/C7MD00052A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine