Compound Detail
CHEMBL4434789
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O=C(N/N=C/c1cc[n+](Cc2ccccc2)c2ccccc12)c1ccc2ccc3ccc(C(=O)N/N=C/c4cc[n+](Cc5ccccc5)c5ccccc45)nc3c2n1.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL4434789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCJYTIKZAWZLBJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597480 |
| Active Moiety | CHEMBL4597480 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
756.9
MW (Da)
7.29
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 340.0 | nM | 6.47 | 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 | 6 |
| 31173968 | 10.1016/j.ejmech.2019.05.042 | NCI-H1299 | 2 |
Data from ChEMBL 36 via Core Engine