Compound Detail
CHEMBL89729
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Basic Information
| ChEMBL ID | CHEMBL89729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUPWOUWBXGQXOA-PKNBQFBNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.78
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.0 | 4.54 | 9940.0 | 2 |
| Brain CHEMBL613617 | IC50 | 5.0 | 5.0 | 9940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 9940.0 | nM | 5.0 | Compound was tested for its inhibitory concentration against formation of lipid ... | 12182869 |
| Brain | IC50 | = | 9940.0 | nM | 5.0 | Inhibition of lipid peroxidation in Sprague-Dawley rat brain after 30 mins by TB... | 18249541 |
| Rattus norvegicus | IC50 | = | 82200.0 | nM | 4.08 | 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 | 2 |
| 18249541 | 10.1016/j.bmcl.2008.01.061 | Brain | 1 |
Data from ChEMBL 36 via Core Engine