Compound Detail
CHEMBL3414617
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 | CHEMBL3414617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPXMEOBILYVKBC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
4.62
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 5.82 | 5.355 | 1500.0 | 4 |
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition G9a (unknown origin) | 30753076 |
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of GLP (unknown origin) | 30753076 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of G9a (unknown origin) by mass spectrophotometric analysis | 25406853 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition G9a (unknown origin) | 31276898 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of G9a (unknown origin) | 37974951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25406853 | 10.1021/jm501234a | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 31276898 | 10.1016/j.ejmech.2019.06.072 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 30753076 | 10.1021/acs.jmedchem.8b02008 | Histone-lysine N-methyltransferase EHMT2 | 1 |
| 30753076 | 10.1021/acs.jmedchem.8b02008 | Histone-lysine N-methyltransferase EHMT1 | 1 |
| 37974951 | 10.1021/acsmedchemlett.3c00344 | Histone-lysine N-methyltransferase EHMT2 | 1 |
Data from ChEMBL 36 via Core Engine