Compound Detail
CHEMBL4460497
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[n+]1cccc2cc(/C=N/NC(=O)c3cccc(C(=O)N/N=C/c4ccc5c(ccc[n+]5CC)c4)n3)ccc21.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL4460497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHROXXSJNMRXIC-PRNLRDAQSA-N |
| Parent Compound | CHEMBL4594872 |
| Active Moiety | CHEMBL4594872 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
3.53
ALogP
5
HBA
2
HBD
103.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 740.0 | nM | 6.13 | 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