Compound Detail
CHEMBL3780917
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Basic Information
| ChEMBL ID | CHEMBL3780917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXYNWHGQPFONNX-JAVCKPHESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
245.2
MW (Da)
1.75
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.33 | 4.33 | 46800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 46800.0 | nM | 4.33 | Antioxidant activity assessed as DPPH free radical scavenging activity treated w... | 27017266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27017266 | 10.1016/j.ejmech.2016.03.019 | No relevant target | 16 |
| 27017266 | 10.1016/j.ejmech.2016.03.019 | ADMET | 12 |
Data from ChEMBL 36 via Core Engine