Compound Detail
CHEMBL4457371
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
Nc1ncnc2c1ccn2[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4457371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNDCXYZRSRFLRY-YBUXEROVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
1.31
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H2 as ... | 30956011 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 134.0 | nM | 6.87 | Inhibition of PRMT5 in human Granta-519 assessed as reduction in sDMA production... | 30956011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30956011 | 10.1016/j.bmcl.2019.03.042 | Protein arginine N-methyltransferase 5 | 1 |
| 30956011 | 10.1016/j.bmcl.2019.03.042 | PRMT5/MEP50 complex | 1 |
Data from ChEMBL 36 via Core Engine