Compound Detail
CHEMBL5633177
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 | CHEMBL5633177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBBFGXHUFVVWEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
2.20
ALogP
7
HBA
3
HBD
99.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Histone-lysine N-methyltransferase SUV39H1 CHEMBL1795118 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 15000.0 | nM | 4.82 | Displacement of 3H-SAM from PRMT1 (unknown origin) using biotinylated-histone H4... | 37597437 |
| Histone-lysine N-methyltransferase SUV39H1 | IC50 | = | 16000.0 | nM | 4.8 | Displacement of 3H-SAM from SUV39H1 (unknown origin) using biotinylated-histone ... | 37597437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37597437 | 10.1016/j.ejmech.2023.115713 | Protein arginine N-methyltransferase 1 | 1 |
| 37597437 | 10.1016/j.ejmech.2023.115713 | Histone-lysine N-methyltransferase SUV39H1 | 1 |
| 37597437 | 10.1016/j.ejmech.2023.115713 | Histone-lysine N-methyltransferase SMYD3 | 1 |
| 37597437 | 10.1016/j.ejmech.2023.115713 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
Data from ChEMBL 36 via Core Engine