Compound Detail
CHEMBL2397172
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Basic Information
| ChEMBL ID | CHEMBL2397172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFYMOMSYSRJHNT-VMPITWQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
3.97
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 10300.0 | nM | 4.99 | Antineuroinflammatory activity in mouse BV2 cells assessed as reduction of LPS-i... | 23726032 |
| Radical scavenging activity | IC50 | = | 11100.0 | nM | 4.96 | 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