Compound Detail
CHEMBL4541714
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Nc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
Basic Information
| ChEMBL ID | CHEMBL4541714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUBFXROFEOCTGQ-GVXRKXQCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
2.06
ALogP
8
HBA
4
HBD
136.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| N6-adenosine-methyltransferase catalytic subunit CHEMBL4739695 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 0.16 | nM | 9.8 | Inhibition of PRMT5 in human A549 cells assessed as reduction in sDMA production... | 30956011 |
| PRMT5/MEP50 complex | IC50 | = | 0.25 | nM | 9.6 | Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-termi... | 30956011 |
| N6-adenosine-methyltransferase catalytic subunit | IC50 | = | 100.0 | nM | 7.0 | Inhibition of METTL3 (unknown origin) using UCUGGACUAAA-biotin and 3H-SAM as sub... | - |
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