Compound Detail
CHEMBL1271981
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O=c1cc(-c2cc(O)cc(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
Basic Information
| ChEMBL ID | CHEMBL1271981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQLZFMNYGLUKEJ-QNDFHXLGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
-0.24
ALogP
11
HBA
7
HBD
190.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.01 | 5.01 | 9650.0 | 1 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 9650.0 | nM | 5.01 | Antioxidant activity assessed as ABTS radical scavenging activity | 20932762 |
| Radical scavenging activity | EC50 | = | 32000.0 | nM | 4.5 | Antioxidant activity of the compound assessed as DPPH radical scavenging activit... | 20932762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20932762 | 10.1016/j.bmcl.2010.09.086 | NON-PROTEIN TARGET | 2 |
| 20932762 | 10.1016/j.bmcl.2010.09.086 | Radical scavenging activity | 1 |
| 20932762 | 10.1016/j.bmcl.2010.09.086 | H9c2 | 1 |
Data from ChEMBL 36 via Core Engine