Compound Detail
CHEMBL214394
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Basic Information
| ChEMBL ID | CHEMBL214394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTIFUIXRGBEXCE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.37
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.9 | 5.9 | 1261.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 16.0 | nM | 7.8 | Activity at PPARbeta/delta by luciferase reporter gene transactivation assay in ... | 16797985 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1010.0 | nM | 6.0 | Activity at PPARalpha by luciferase reporter gene transactivation assay in COS7 ... | 16797985 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1261.0 | nM | 5.9 | Activity at PPARgamma by luciferase reporter gene transactivation assay in COS7 ... | 16797985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16797985 | 10.1016/j.bmcl.2006.06.028 | Peroxisome proliferator-activated receptor delta | 2 |
| 16797985 | 10.1016/j.bmcl.2006.06.028 | Peroxisome proliferator-activated receptor alpha | 2 |
| 16797985 | 10.1016/j.bmcl.2006.06.028 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine