Compound Detail
CHEMBL20280
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
Basic Information
| ChEMBL ID | CHEMBL20280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VETZYZSDTFDNPF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
521.7
MW (Da)
7.34
ALogP
4
HBA
2
HBD
93.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 9.0 | nM | 8.05 | In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alp... | 11354382 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1000.0 | nM | 6.0 | In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gam... | 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 |
Data from ChEMBL 36 via Core Engine