Compound Detail
CHEMBL560169
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Basic Information
| ChEMBL ID | CHEMBL560169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYEZJIXULOZDRT-WGLWSTOQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
1.89
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.21 | 4.21 | 60900.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.18 | 4.18 | 66400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 60900.0 | nM | 4.21 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 19296617 |
| RAW264.7 | IC50 | = | 66400.0 | nM | 4.18 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells preinc... | 21435874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14518939 | 10.1021/jf034644c | Allium cepa | 4 |
| 14518939 | 10.1021/jf034644c | Solanum lycopersicum | 4 |
| 14518939 | 10.1021/jf034644c | Lactuca sativa | 4 |
| 19296617 | 10.1021/np800488p | PC-12 | 1 |
| 19296617 | 10.1021/np800488p | Radical scavenging activity | 1 |
| 21435874 | 10.1016/j.bmcl.2011.02.102 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine