Compound Detail
CHEMBL4128989
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Basic Information
| ChEMBL ID | CHEMBL4128989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSIYPAHHMJMQFK-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
5.24
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.55
EC50 3 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 5.55 | 5.55 | 2800.0 | 2 |
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 5.55 | 5.55 | 2800.0 | 2 |
| JeKo-1 CHEMBL4296445 | EC50 | 4.98 | 4.98 | 10500.0 | 1 |
| Maver1 CHEMBL4483260 | EC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Z-138 CHEMBL4483276 | EC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)... | 29628326 |
| PRMT5/MEP50 complex | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human N-terminal FLAG-tagged PRMT5 (2 to end)/human N-terminal His... | 29870258 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of PRMT5 (unknown origin) | 30366617 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of PRMT5 (unknown origin) using biotinylated H4 derived peptide as su... | 38359536 |
| JeKo-1 | EC50 | = | 10500.0 | nM | 4.98 | Antiproliferative activity against human JeKo1 cells after 3 days by cell titer-... | 29870258 |
| Z-138 | EC50 | = | 12700.0 | nM | 4.9 | Antiproliferative activity against human Z138 cells after 3 days by cell titer-g... | 29870258 |
| Maver1 | EC50 | = | 12700.0 | nM | 4.9 | Antiproliferative activity against human Maver1 cells after 3 days by cell titer... | 29870258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29628326 | 10.1016/j.bmcl.2018.03.087 | PRMT5/MEP50 complex | 1 |
| 29870258 | 10.1021/acs.jmedchem.8b00598 | PRMT5/MEP50 complex | 1 |
| 29870258 | 10.1021/acs.jmedchem.8b00598 | Z-138 | 1 |
| 29870258 | 10.1021/acs.jmedchem.8b00598 | Maver1 | 1 |
| 29870258 | 10.1021/acs.jmedchem.8b00598 | JeKo-1 | 1 |
| 30366617 | 10.1016/j.bmcl.2018.10.026 | Protein arginine N-methyltransferase 5 | 1 |
| 38359536 | 10.1016/j.ejmech.2024.116212 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine