Compound Detail
CHEMBL462808
TERNSTROSIDE B Enter ChEMBL ID:
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O=C(Cc1ccc(O)cc1)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL462808 |
| Name | TERNSTROSIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTYGWPXLHJZXDF-MIUGBVLSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
-0.04
ALogP
10
HBA
6
HBD
166.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.63 | 5.48 | 2360.0 | 2 |
| Kidney CHEMBL613638 | IC50 | 4.2 | 4.2 | 62520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2360.0 | nM | 5.63 | Antioxidant activity assessed as peroxynitrite scavenging activity by fluorescen... | 17067150 |
| NON-PROTEIN TARGET | IC50 | = | 4660.0 | nM | 5.33 | Antioxidant activity assessed as inhibition of hydroxyl radical generation by fl... | 17067150 |
| Kidney | IC50 | = | 62520.0 | nM | 4.2 | Antioxidant activity assessed as inhibition of total reactive oxygen species gen... | 17067150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17067150 | 10.1021/np060096w | NON-PROTEIN TARGET | 2 |
| 17067150 | 10.1021/np060096w | Kidney | 1 |
Data from ChEMBL 36 via Core Engine