Compound Detail
CHEMBL5423999
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
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(/C=C/c3cc4c(cc3/C=C/c3ccc(C(=C5C=CC(=[N+](C)C)C=C5)c5ccc(N(C)C)cc5)cc3)OCO4)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5423999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSYUCGAGUSXPMK-IWGRKNQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
829.1
MW (Da)
11.17
ALogP
4
HBA
0
HBD
31.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL4649922 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | IC50 | = | 5400.0 | nM | 5.27 | Binding affinity to pUC-19 plasmid DNA (unknown origin) assessed as DNA cleavage... | 37757605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37757605 | 10.1016/j.bmc.2023.117438 | Unchecked | 14 |
| 37757605 | 10.1016/j.bmc.2023.117438 | Calf thymus DNA | 13 |
| 37757605 | 10.1016/j.bmc.2023.117438 | AT rich DNA | 2 |
| 37757605 | 10.1016/j.bmc.2023.117438 | DNA | 1 |
Data from ChEMBL 36 via Core Engine