Compound Detail
CHEMBL253228
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CCCCOc1cc(/C=C/C(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OCCCC)c1O
Basic Information
| ChEMBL ID | CHEMBL253228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBFAYDLOIHSWRZ-BUHFOSPRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.8
MW (Da)
7.42
ALogP
5
HBA
3
HBD
88.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brain CHEMBL613617 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Brain | IC50 | = | 410.0 | nM | 6.39 | Inhibition of lipid peroxidation in Sprague-Dawley rat brain after 30 mins by TB... | 18249541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18249541 | 10.1016/j.bmcl.2008.01.061 | Brain | 1 |
Data from ChEMBL 36 via Core Engine