Compound Detail
CHEMBL1831284
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Basic Information
| ChEMBL ID | CHEMBL1831284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXIFHVIQBKXZQU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
4.77
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.16 | 5.08 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 6300.0 | nM | 5.2 | Antioxidant activity assessed as residual DPPH radical scavenging activity after... | 21843909 |
| NON-PROTEIN TARGET | IC50 | = | 7000.0 | nM | 5.16 | Antioxidant activity assessed as residual ABTS+ radical scavenging activity afte... | 21843909 |
| NON-PROTEIN TARGET | IC50 | = | 10100.0 | nM | 5.0 | Antioxidant activity assessed as superoxide radical scavenging activity after 40... | 21843909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21843909 | 10.1016/j.ejmech.2011.07.041 | NON-PROTEIN TARGET | 12 |
| 21843909 | 10.1016/j.ejmech.2011.07.041 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine