Compound Detail
CHEMBL4128513
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 | CHEMBL4128513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKAHVAHFZKSBFC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.27
ALogP
6
HBA
3
HBD
91.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
EC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 4.65 | 4.65 | 22500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)... | 29628326 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of PRMT5 (unknown origin) | 30366617 |
| MV4-11 | EC50 | = | 22500.0 | nM | 4.65 | Antiproliferative activity against human MV411 cells after 4 days by Celltiiter-... | 29628326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29628326 | 10.1016/j.bmcl.2018.03.087 | MV4-11 | 2 |
| 29628326 | 10.1016/j.bmcl.2018.03.087 | PRMT5/MEP50 complex | 2 |
| 29628326 | 10.1016/j.bmcl.2018.03.087 | Protein arginine N-methyltransferase 5 | 1 |
| 29628326 | 10.1016/j.bmcl.2018.03.087 | Histone-arginine methyltransferase CARM1 | 1 |
| 29628326 | 10.1016/j.bmcl.2018.03.087 | Protein arginine N-methyltransferase 1 | 1 |
| 30366617 | 10.1016/j.bmcl.2018.10.026 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine