Compound Detail
CHEMBL5619817
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Basic Information
| ChEMBL ID | CHEMBL5619817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWDKIZVAAONIAX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.40
ALogP
6
HBA
3
HBD
79.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL2311221 | IC50 | 4.32 | 4.32 | 48130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | IC50 | = | 48130.0 | nM | 4.32 | Binding affinity to DNA (unknown origin) assessed as DNA intercalation | 38669910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38669910 | 10.1016/j.ejmech.2024.116411 | DNA | 1 |
Data from ChEMBL 36 via Core Engine