Compound Detail
CHEMBL512419
POLIOTHYRSOSIDE Enter ChEMBL ID:
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O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL512419 |
| Name | POLIOTHYRSOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLROYCKIIJCTDY-BFMVXSJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
-0.07
ALogP
9
HBA
5
HBD
145.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8100.0 | nM | 5.09 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 23354072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23354072 | 10.1016/j.ejmech.2012.12.019 | Plasmodium falciparum | 2 |
| 18412396 | 10.1021/np800014s | Prostaglandin G/H synthase 2 | 1 |
| 22439591 | 10.1021/np300059n | Unchecked | 1 |
| 23354072 | 10.1016/j.ejmech.2012.12.019 | Plasmodium yoelii | 1 |
| 23354072 | 10.1016/j.ejmech.2012.12.019 | Vero | 1 |
| 23354072 | 10.1016/j.ejmech.2012.12.019 | Unchecked | 1 |
| 25216379 | 10.1016/j.ejmech.2014.09.015 | 3T3-L1 | 1 |
Data from ChEMBL 36 via Core Engine