Compound Detail
CHEMBL459617
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COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL459617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHYOMNWKYGMYMB-PBJGOBETSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
-0.16
ALogP
11
HBA
7
HBD
178.5
PSA (Ų)
0.25
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 10500.0 | nM | 4.98 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 11473417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11473417 | 10.1021/np0100845 | NON-PROTEIN TARGET | 3 |
| 11473417 | 10.1021/np0100845 | Radical scavenging activity | 1 |
| 19778089 | 10.1021/np900290s | Vero | 1 |
| 19778089 | 10.1021/np900290s | Human alphaherpesvirus 1 | 1 |
| 20092288 | 10.1021/np900530n | Vero | 1 |
| 20092288 | 10.1021/np900530n | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine