Compound Detail
CHEMBL4285541
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Basic Information
| ChEMBL ID | CHEMBL4285541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSEGBBMLPCFYBY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.32
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL2364041 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.53 | 4.53 | 29700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | IC50 | = | 3800.0 | nM | 5.42 | Antioxidant activity assessed as protection against AAPH-induced DNA damage in E... | 29220795 |
| No relevant target | IC50 | = | 29700.0 | nM | 4.53 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins | 29220795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29220795 | 10.1016/j.ejmech.2017.11.072 | No relevant target | 3 |
| 29220795 | 10.1016/j.ejmech.2017.11.072 | DNA | 1 |
Data from ChEMBL 36 via Core Engine