Compound Detail
CHEMBL81825
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Basic Information
| ChEMBL ID | CHEMBL81825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRLCSKYJUAPARF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.6
MW (Da)
5.12
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calf thymus DNA CHEMBL612514 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calf thymus DNA | IC50 | = | 80000.0 | nM | 4.1 | Ability to displace ethidium bromide from calf thymus DNA | 1875339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875339 | 10.1021/jm00112a016 | Nucleic Acid | 2 |
| 1875339 | 10.1021/jm00112a016 | HeLa | 2 |
| 1875339 | 10.1021/jm00112a016 | Calf thymus DNA | 1 |
Data from ChEMBL 36 via Core Engine