Compound Detail
CHEMBL248799
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Basic Information
| ChEMBL ID | CHEMBL248799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYSYUMZDQQQPIF-KPKJPENVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
3.16
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brain CHEMBL613617 | IC50 | 4.92 | 4.92 | 11880.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.61 | 4.61 | 24300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Brain | IC50 | = | 11880.0 | nM | 4.92 | Antioxidant activity in Wistar rat brain assessed as inhibition of lipid peroxid... | 17967537 |
| Radical scavenging activity | IC50 | = | 24300.0 | nM | 4.61 | Antioxidant activity assessed as DPPH free radical scavenging activity | 17967537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Radical scavenging activity | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | Brain | 1 |
| 17967537 | 10.1016/j.bmcl.2007.10.034 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine