Compound Detail
CHEMBL4167746
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CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL4167746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYFGHPIRFKVZAG-ZPAKKGACSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.4
MW (Da)
0.77
ALogP
13
HBA
7
HBD
216.6
PSA (Ų)
0.19
QED
3
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 3500.0 | nM | 5.46 | 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