Compound Detail
CHEMBL5274405
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COc1ccc2ccc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3c2c1
Basic Information
| ChEMBL ID | CHEMBL5274405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOVHBFHRGDLMAS-CMWLGVBASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
0.89
ALogP
8
HBA
5
HBD
128.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 200.0 | nM | 6.7 | Antioxidant activity assessed as DPPH radical scavenging activity | 29280630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29280630 | 10.1021/acs.jnatprod.7b00619 | BV-2 | 1 |
| 29280630 | 10.1021/acs.jnatprod.7b00619 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine