Compound Detail
CHEMBL2397177
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Basic Information
| ChEMBL ID | CHEMBL2397177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPXLSRPTQKGMGD-ZRDIBKRKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.09
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 5900.0 | nM | 5.23 | Antineuroinflammatory activity in mouse BV2 cells assessed as reduction of LPS-i... | 23726032 |
| Radical scavenging activity | IC50 | = | 10600.0 | nM | 4.97 | Antioxidant activity assessed as DPPH free radical scavenging activity after 60 ... | 23726032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23726032 | 10.1016/j.bmcl.2013.05.016 | BV-2 | 2 |
| 23726032 | 10.1016/j.bmcl.2013.05.016 | PC-12 | 1 |
| 23726032 | 10.1016/j.bmcl.2013.05.016 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine