Compound Detail
CHEMBL376697
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COc1cc(C(O)C(CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4C(=O)OC[C@@H]43)cc2OC)ccc1O
Basic Information
| ChEMBL ID | CHEMBL376697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXNHVUOGFJILRR-YGAXPAPJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
1.75
ALogP
10
HBA
3
HBD
133.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 72000.0 | nM | 4.14 | Antioxidant effect assessed as DPPH radical scavenging activity | 17343407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17343407 | 10.1021/np0603931 | PC-12 | 4 |
| 17343407 | 10.1021/np0603931 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine