Compound Detail
CHEMBL3422284
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O=C1c2c(O)cc(O)c(-c3coc4cc(O)cc(O)c4c3=O)c2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3422284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITLIIDFSTPOGDA-XZOQPEGZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
2.37
ALogP
11
HBA
7
HBD
198.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 17500.0 | nM | 4.76 | Antioxidant activity assessed as H2O2 scavenging activity after 15 mins | 25625705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25625705 | 10.1021/np5007873 | No relevant target | 5 |
Data from ChEMBL 36 via Core Engine