Compound Detail
CHEMBL4176025
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
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1O
Basic Information
| ChEMBL ID | CHEMBL4176025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQTSPIMCWRYNFT-OZKUPCRYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.4
MW (Da)
1.07
ALogP
13
HBA
6
HBD
205.6
PSA (Ų)
0.26
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 2200.0 | nM | 5.66 | Antioxidant activity assessed as DPPH radical scavenging activity measured after... | 29300477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29300477 | 10.1021/acs.jnatprod.7b00564 | Tyrosinase | 1 |
| 29300477 | 10.1021/acs.jnatprod.7b00564 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine