Compound Detail
CHEMBL4589179
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Nc1ncnc2c1ccn2[C@@H]1C[C@H](OCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4589179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXGFRJAJGGZRND-YDZRNGNQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
1.81
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 5.97 | 5.97 | 1070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 125.0 | nM | 6.9 | Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-termi... | 30956011 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 1070.0 | nM | 5.97 | Inhibition of PRMT5 in human A549 cells assessed as reduction in sDMA production... | 30956011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30956011 | 10.1016/j.bmcl.2019.03.042 | PRMT5/MEP50 complex | 1 |
| 30956011 | 10.1016/j.bmcl.2019.03.042 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine