Compound Detail
CHEMBL4520078
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Basic Information
| ChEMBL ID | CHEMBL4520078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XABBAMJQLIHBLR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
3.73
ALogP
6
HBA
0
HBD
59.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 CHEMBL1795177 | IC50 | 8.71 | 8.71 | 2.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 | IC50 | = | 1.97 | nM | 8.71 | Inhibition of SUV39H2 (unknown origin) using H3 histone peptide substrate and [3... | - |
| A549 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human A549 cells assessed as reduction in cell viability in... | - |
Data from ChEMBL 36 via Core Engine