Compound Detail
CHEMBL4553838
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Basic Information
| ChEMBL ID | CHEMBL4553838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBJVQGFQMKNFFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.9
MW (Da)
3.36
ALogP
7
HBA
0
HBD
68.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 CHEMBL1795177 | IC50 | 8.75 | 8.75 | 1.8 | 1 |
| A549 CHEMBL392 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 | IC50 | = | 1.78 | nM | 8.75 | Inhibition of SUV39H2 (unknown origin) using H3 histone peptide substrate and [3... | - |
| A549 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human A549 cells assessed as reduction in cell viability in... | - |
Data from ChEMBL 36 via Core Engine