Compound Detail
CHEMBL4551654
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 | CHEMBL4551654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWGZTEQJAHFRCE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
3.34
ALogP
6
HBA
0
HBD
59.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 CHEMBL1795177 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of SUV39H2 (unknown origin) using H3 histone peptide substrate and [3... | - |
| A549 | IC50 | = | 2200.0 | nM | 5.66 | Cytotoxicity against human A549 cells assessed as reduction in cell viability in... | - |
Data from ChEMBL 36 via Core Engine