Compound Detail
CHEMBL4278636
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Basic Information
| ChEMBL ID | CHEMBL4278636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZTDMZANGPZBKV-LFIBNONCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.02
ALogP
3
HBA
1
HBD
41.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
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 |
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 |
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