Compound Detail
CHEMBL462805
POLYGALATENOSIDE B Enter ChEMBL ID:
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OC[C@@H]1OC[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](OCc3ccccc3)[C@@H]2O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL462805 |
| Name | POLYGALATENOSIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBKBHCJPMCMBCZ-GDLYOHBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
-2.49
ALogP
10
HBA
6
HBD
158.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 6040.0 | nM | 5.22 | Displacement of [125I]RTI-55 from human NET expressed in MDCK cell membrane | 16989524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16989524 | 10.1021/np060207r | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine