Compound Detail
CHEMBL4548376
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CC(=O)CNc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4548376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPJVJIWFDRRKJW-QRXRQMIZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
1.06
ALogP
9
HBA
4
HBD
129.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Granta-519 CHEMBL4483240 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of PRMT5 in human Granta-519 assessed as reduction in sDMA production... | 31312404 |
| PRMT5/MEP50 complex | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human recombinant PRMT5/MEP50 expressed in baculovirus infected Hi... | 31312404 |
| Granta-519 | IC50 | = | 140.0 | nM | 6.85 | Antiproliferative activity against human GRANTA-519 cells assessed as reduction ... | 31312404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31312404 | 10.1021/acsmedchemlett.9b00074 | PRMT5/MEP50 complex | 1 |
| 31312404 | 10.1021/acsmedchemlett.9b00074 | Protein arginine N-methyltransferase 5 | 1 |
| 31312404 | 10.1021/acsmedchemlett.9b00074 | Granta-519 | 1 |
Data from ChEMBL 36 via Core Engine