Compound Detail
CHEMBL4471746
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Basic Information
| ChEMBL ID | CHEMBL4471746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAOILJOQEQTGLJ-JKSUJKDBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.17
ALogP
6
HBA
1
HBD
55.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 CHEMBL2321646 | Kd | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 | Kd | = | 4400.0 | nM | 5.36 | Binding affinity N-terminal his tagged wild type human SETDB1 (190 to 410 residu... | 38799223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30998845 | 10.1021/acs.jmedchem.9b00096 | Histone acetyltransferase KAT2B | 2 |
| 38799223 | 10.1039/d3md00366c | Histone-lysine N-methyltransferase SETDB1 | 2 |
Data from ChEMBL 36 via Core Engine