Compound Detail
CHEMBL1934314
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Basic Information
| ChEMBL ID | CHEMBL1934314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNEFKBAVEVBCFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.0
MW (Da)
4.11
ALogP
6
HBA
2
HBD
91.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 810.0 | nM | 6.09 | Transactivation of human PPARalpha expressed in CHO-K1 cells | 22133631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22133631 | 10.1016/j.bmcl.2011.11.002 | Peroxisome proliferator-activated receptor alpha | 1 |
| 22133631 | 10.1016/j.bmcl.2011.11.002 | Peroxisome proliferator-activated receptor gamma | 1 |
| 22133631 | 10.1016/j.bmcl.2011.11.002 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine