Compound Detail
CHEMBL2159605
PLANTAGINEOSIDE A Enter ChEMBL ID:
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O=C(CCCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL2159605 |
| Name | PLANTAGINEOSIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHSFPZHWAFXABZ-GNZBLXBPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
654.7
MW (Da)
-1.63
ALogP
15
HBA
10
HBD
256.3
PSA (Ų)
0.10
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor CHEMBL3559683 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.33 | 4.33 | 47100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor | EC50 | = | 7000.0 | nM | 5.16 | Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by lucifer... | 23031596 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 11000.0 | nM | 4.96 | Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected... | 23031596 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 47100.0 | nM | 4.33 | Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in hum... | 23031596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23031596 | 10.1016/j.bmcl.2012.08.099 | Peroxisome proliferator-activated receptor delta | 2 |
| 23031596 | 10.1016/j.bmcl.2012.08.099 | Peroxisome proliferator-activated receptor alpha | 2 |
| 23031596 | 10.1016/j.bmcl.2012.08.099 | Peroxisome proliferator-activated receptor | 2 |
| 23031596 | 10.1016/j.bmcl.2012.08.099 | HepG2 | 1 |
| 23031596 | 10.1016/j.bmcl.2012.08.099 | Peroxisome proliferator-activated receptor gamma | 1 |
| 23031596 | 10.1016/j.bmcl.2012.08.099 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine