Compound Detail
CHEMBL5281412
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Basic Information
| ChEMBL ID | CHEMBL5281412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSFQBDRDJRMLBO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.42
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.17 | 4.945 | 6800.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 4.62 | 4.62 | 24100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 6800.0 | nM | 5.17 | Antioxidant activity assessed as DPPH radical scavenging activity | 29280630 |
| No relevant target | IC50 | = | 19000.0 | nM | 4.72 | Antioxidant activity assessed as hydrogen peroxide scavenging activity | 29280630 |
| RAW264.7 | IC50 | = | 24100.0 | nM | 4.62 | Antiinflammatory activity in mouse RAW264.7 cells assessed as reduction in LPS-i... | 29280630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29280630 | 10.1021/acs.jnatprod.7b00619 | No relevant target | 2 |
| 29280630 | 10.1021/acs.jnatprod.7b00619 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine