Compound Detail
CHEMBL4465375
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C#Cc1cn([C@@H]2O[C@H]([C@H](O)c3ccc(Cl)cc3)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Basic Information
| ChEMBL ID | CHEMBL4465375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJWHFGKLLBVQAN-PPLBCVRQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.8
MW (Da)
1.00
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Granta-519 CHEMBL4483240 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 17.0 | nM | 7.77 | Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H2 as ... | 30956011 |
| Granta-519 | IC50 | = | 131.0 | nM | 6.88 | Antiproliferative activity against human GRANTA-519 cells incubated for 3 days a... | 30956011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30956011 | 10.1016/j.bmcl.2019.03.042 | Granta-519 | 1 |
| 30956011 | 10.1016/j.bmcl.2019.03.042 | PRMT5/MEP50 complex | 1 |
Data from ChEMBL 36 via Core Engine