Compound Detail
CHEMBL87809
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Basic Information
| ChEMBL ID | CHEMBL87809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCYNCNLUZAKOCN-MDZDMXLPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.79
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.47 | 4.93 | 3410.0 | 3 |
| Brain CHEMBL613617 | IC50 | 5.47 | 5.47 | 3410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 3410.0 | nM | 5.47 | Compound was tested for its inhibitory concentration against formation of lipid ... | 12182869 |
| Brain | IC50 | = | 3410.0 | nM | 5.47 | Inhibition of lipid peroxidation in Sprague-Dawley rat brain after 30 mins by TB... | 18249541 |
| Rattus norvegicus | IC50 | = | 5400.0 | nM | 5.27 | Neuroprotective action was estimated in terms of its inhibitory concentration ag... | 12182869 |
| Rattus norvegicus | IC50 | = | 89100.0 | nM | 4.05 | Compound was tested for its DPPH radical scavenging activity in rat brain homoge... | 12182869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182869 | 10.1016/s0960-894x(02)00479-1 | Rattus norvegicus | 3 |
| 18249541 | 10.1016/j.bmcl.2008.01.061 | Brain | 1 |
Data from ChEMBL 36 via Core Engine