Compound Detail
CHEMBL5572230
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Basic Information
| ChEMBL ID | CHEMBL5572230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQEMJTVBSHSJNA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.40
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 CHEMBL2321646 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of SETDB1 (unknown origin) using histone H3 as substrate measured aft... | 38799223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38799223 | 10.1039/d3md00366c | Histone-lysine N-methyltransferase SETDB1 | 1 |
Data from ChEMBL 36 via Core Engine