Compound Detail
CHEMBL4441159
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C[n+]1ccc(/C=N/NC(=O)c2ccc3ccc4ccc(C(=O)N/N=C/c5cc[n+](C)c6ccccc56)nc4c3n2)c2ccccc21.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL4441159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPEHEKZPFASGNB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596416 |
| Active Moiety | CHEMBL4596416 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
604.7
MW (Da)
4.27
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.13
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Displacement of TO from EB virus g4-EBNA1 mRNA measured after 5 mins by FID assa... | 31173968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31173968 | 10.1016/j.ejmech.2019.05.042 | Unchecked | 12 |
| 31173968 | 10.1016/j.ejmech.2019.05.042 | NCI-H1299 | 5 |
Data from ChEMBL 36 via Core Engine