Compound Detail
CHEMBL231911
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Basic Information
| ChEMBL ID | CHEMBL231911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLIXIYKKYDRNPY-WEVVVXLNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.17
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 4500.0 | nM | 5.35 | Antioxidant activity assessed as DPPH free radical scavenging activity | 17196384 |
| NON-PROTEIN TARGET | IC50 | = | 8500.0 | nM | 5.07 | Antioxidant activity assessed as superoxide scavenging activity by NBT reduction... | 17196384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17196384 | 10.1016/j.bmcl.2006.12.008 | NON-PROTEIN TARGET | 1 |
| 17196384 | 10.1016/j.bmcl.2006.12.008 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine