Compound Detail
CHEMBL225480
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@H](CO)[C@@H](O)c4cc(OC)c(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O
Basic Information
| ChEMBL ID | CHEMBL225480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNQYLBUPZLUYBF-APUQJHFSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
840.9
MW (Da)
4.18
ALogP
17
HBA
6
HBD
222.9
PSA (Ų)
0.08
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 87000.0 | nM | 4.06 | 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