Compound Detail
CHEMBL2159607
PLANTAGINEOSIDE C Enter ChEMBL ID:
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OC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(O)c(O)c3)O[C@H](c3ccc(O)c(O)c3)C2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2159607 |
| Name | PLANTAGINEOSIDE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNGLPVKCHBEQMT-AHVKKWOPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
0.55
ALogP
11
HBA
8
HBD
189.5
PSA (Ų)
0.24
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.28
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor CHEMBL3559683 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.52 | 4.52 | 30100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor | EC50 | = | 5200.0 | nM | 5.28 | Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by lucifer... | 23031596 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of NF-kappaB expressed in human HepG2 cells assessed as inhibition of... | 23031596 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 30100.0 | nM | 4.52 | Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected... | 23031596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23031596 | 10.1016/j.bmcl.2012.08.099 | Unchecked | 2 |
| 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 | 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 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine