Compound Detail
CHEMBL1828822
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Basic Information
| ChEMBL ID | CHEMBL1828822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDTUOCYUAMWQHS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.69
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 6600.0 | nM | 5.18 | Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs ... | 21889235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889235 | 10.1016/j.ejmech.2011.08.022 | Peroxisome proliferator-activated receptor alpha | 3 |
| 21889235 | 10.1016/j.ejmech.2011.08.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine