Compound Detail
CHEMBL4459256
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C#Cc1nn([C@@H]2O[C@H]([C@H](O)c3ccc(Cl)cc3)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Basic Information
| ChEMBL ID | CHEMBL4459256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIQOIMUVCHGRSS-KQVLKZGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.8
MW (Da)
0.40
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 116.0 | nM | 6.94 | Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H2 as ... | 30956011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30956011 | 10.1016/j.bmcl.2019.03.042 | PRMT5/MEP50 complex | 1 |
Data from ChEMBL 36 via Core Engine