Compound Detail
CHEMBL2207971
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Basic Information
| ChEMBL ID | CHEMBL2207971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAXDWOGHSOVRRQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.9
MW (Da)
5.78
ALogP
2
HBA
2
HBD
31.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.71 | 4.71 | 19700.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19700.0 | nM | 4.71 | Inhibition of soybean 15-LOX assessed as peroxide level by DMAB-MBTH method | 23117172 |
| Radical scavenging activity | IC50 | = | 21200.0 | nM | 4.67 | Antioxidant activity of compound assessed as DPPH radical scavenging activity by... | 23117172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23117172 | 10.1016/j.bmc.2012.09.050 | Radical scavenging activity | 1 |
| 23117172 | 10.1016/j.bmc.2012.09.050 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine