Compound Detail
CHEMBL1213901
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Basic Information
| ChEMBL ID | CHEMBL1213901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUGLXWUDSGZVAC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.7
MW (Da)
3.40
ALogP
9
HBA
1
HBD
69.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 4.28 | 4.235 | 52000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 52000.0 | nM | 4.28 | Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocys... | 20614940 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 ... | 20614940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20614940 | 10.1021/jm100478y | Histone-lysine N-methyltransferase EHMT2 | 2 |
Data from ChEMBL 36 via Core Engine