Compound Detail
CHEMBL1779478
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Basic Information
| ChEMBL ID | CHEMBL1779478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXNHXQDADKHRRU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.86
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.28 | 7.28 | 52.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.34 | 6.34 | 460.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 52.0 | nM | 7.28 | Agonist activity at Gal4-fussed PPARalpha expressed in human HEK293 cells by rep... | 21530275 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 460.0 | nM | 6.34 | Agonist activity at Gal4-fussed PPARgamma expressed in human HEK293 cells by rep... | 21530275 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at Gal4-fussed PPARdelta expressed in human HEK293 cells by rep... | 21530275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21530275 | 10.1016/j.bmc.2011.03.064 | Peroxisome proliferator-activated receptor alpha | 1 |
| 21530275 | 10.1016/j.bmc.2011.03.064 | Peroxisome proliferator-activated receptor gamma | 1 |
| 21530275 | 10.1016/j.bmc.2011.03.064 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine