Compound Detail
CHEMBL5631888
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Basic Information
| ChEMBL ID | CHEMBL5631888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAIFHNXNWIXSQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.17
ALogP
6
HBA
4
HBD
105.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 1 | IC50 | = | 14600.0 | nM | 4.84 | Displacement of 3H-SAM from PRMT1 (unknown origin) using biotinylated-histone H4... | 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