Compound Detail
CHEMBL4542222
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Basic Information
| ChEMBL ID | CHEMBL4542222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMAJOKNXUXTWNC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
2.28
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 2.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 CHEMBL2321646 | Kd | 2.57 | 2.57 | 2700000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 | Kd | = | 2700000.0 | nM | 2.57 | Binding affinity to N-terminally biotinylated human SETDB1 Tudor domain (197 to ... | 31327677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31327677 | 10.1016/j.bmc.2019.07.020 | Histone-lysine N-methyltransferase SETDB1 | 1 |
Data from ChEMBL 36 via Core Engine