Compound Detail
CHEMBL4074067
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Basic Information
| ChEMBL ID | CHEMBL4074067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJDIGKOOZLQGFB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
84.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of PRMT5 (unknown origin) | 38359536 |
| PRMT5/MEP50 complex | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)... | 28650658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28650658 | 10.1021/acs.jmedchem.7b00587 | PRMT5/MEP50 complex | 1 |
| 38359536 | 10.1016/j.ejmech.2024.116212 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine