Compound Detail
CHEMBL5281295
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C[C@@](O)(c1ccc(Cl)cc1)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5281295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZELPSNZTZPTEZ-IZOOLLGQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.8
MW (Da)
1.19
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| A-375 CHEMBL613859 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 5.23 | nM | 8.28 | Inhibition of PRMT5 (unknown origin) | 36274274 |
| A-375 | IC50 | = | 44.0 | nM | 7.36 | Antiproliferation activity against human A-375 cells assessed as cell growth inh... | 36274274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36274274 | 10.1016/j.ejmech.2022.114842 | Protein arginine N-methyltransferase 5 | 1 |
| 36274274 | 10.1016/j.ejmech.2022.114842 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine