Compound Detail
CHEMBL20392
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Basic Information
| ChEMBL ID | CHEMBL20392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTSVLIQAAVXDEU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
7.48
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.3
IC50 1 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 8.71 | 8.71 | 1.9 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 1.93 | nM | 8.71 | Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-D... | 22939697 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5.0 | nM | 8.3 | In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alp... | 11354382 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 320.0 | nM | 6.5 | In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gam... | 11354382 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1100.0 | nM | 5.96 | In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR del... | 11354382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354382 | 10.1016/s0960-894x(01)00188-3 | Peroxisome proliferator-activated receptor alpha | 1 |
| 11354382 | 10.1016/s0960-894x(01)00188-3 | Peroxisome proliferator-activated receptor gamma | 1 |
| 11354382 | 10.1016/s0960-894x(01)00188-3 | Peroxisome proliferator-activated receptor delta | 1 |
| 11354382 | 10.1016/s0960-894x(01)00188-3 | Cricetinae gen. sp. | 1 |
| 22939697 | 10.1016/j.bmcl.2012.08.010 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine