Compound Detail
CHEMBL1213766
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Basic Information
| ChEMBL ID | CHEMBL1213766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTRSMGYKEMPQRR-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
2.23
ALogP
9
HBA
1
HBD
69.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 6.96 | 6.94 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of G9a (913 to 1193 residues) (unknown origin) using peptide H3 (1 to... | 29308121 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of G9a (913 to 1193 residues) (unknown origin) using biotin-ARTKQTARK... | 29308121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20614940 | 10.1021/jm100478y | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 29308121 | 10.1039/C7MD00052A | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 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