Compound Detail
CHEMBL3109438
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COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1O
Basic Information
| ChEMBL ID | CHEMBL3109438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAQNISJXKDSYJD-DHWIRCOFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
0.50
ALogP
12
HBA
7
HBD
199.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 1900.0 | nM | 5.72 | Antioxidant activity assessed as DPPH radical scavenging activity measured after... | 29300477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24521209 | 10.1021/np400717m | Arginase | 1 |
| 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