Compound Detail
CHEMBL4278657
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COc1cccc(CN(Cc2cccc(OC)c2)c2ccc(N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4278657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZOJATKYYGKICH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
8.13
ALogP
6
HBA
0
HBD
43.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL2364041 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | IC50 | = | 13600.0 | nM | 4.87 | Antioxidant activity assessed as protection against AAPH-induced DNA damage in E... | 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