Compound Detail
CHEMBL86817
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCO[C@@H](Cc1ccc(OCC=C(c2ccc(-c3ccco3)cc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL86817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGZBEZSNPTZBMB-XIFFEERXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
7.75
ALogP
5
HBA
1
HBD
82.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1000.0 | nM | 6.0 | In vitro activation of human peroxisome proliferator activated receptor delta (P... | 12482434 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2000.0 | nM | 5.7 | In vitro activation of human peroxisome proliferator activated receptor alpha | 12482434 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2900.0 | nM | 5.54 | In vitro activation of human peroxisome proliferator activated receptor gamma (P... | 12482434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12482434 | 10.1016/s0960-894x(02)00881-8 | Peroxisome proliferator-activated receptor alpha | 2 |
| 12482434 | 10.1016/s0960-894x(02)00881-8 | Peroxisome proliferator-activated receptor gamma | 2 |
| 12482434 | 10.1016/s0960-894x(02)00881-8 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine