Compound Detail
CHEMBL4293765
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COc1cc(CN(CCCN(Cc2ccc(O)c(OC)c2)Cc2ccc(O)c(OC)c2)Cc2ccc(O)c(OC)c2)ccc1O.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL4293765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBVNYRSRTACETI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4299848 |
| Active Moiety | CHEMBL4299848 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
618.7
MW (Da)
5.64
ALogP
10
HBA
4
HBD
124.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL2364041 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | IC50 | = | 13900.0 | nM | 4.86 | 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