Compound Detail
CHEMBL4455427
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 | CHEMBL4455427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQUQIZCPRFKLBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
278.7
MW (Da)
2.17
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 2.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 CHEMBL2321646 | Kd | 2.6 | 2.6 | 2500000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETDB1 | Kd | = | 2500000.0 | nM | 2.6 | 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