Compound Detail
CHEMBL212993
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Basic Information
| ChEMBL ID | CHEMBL212993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVEBZNLWMFBMFA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.34
ALogP
8
HBA
1
HBD
104.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.09 | 7.09 | 82.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.12 | 6.12 | 757.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.08 | 5.08 | 8391.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 82.0 | nM | 7.09 | Activity at PPARbeta/delta by luciferase reporter gene transactivation assay in ... | 16797985 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 757.0 | nM | 6.12 | Activity at PPARgamma by luciferase reporter gene transactivation assay in COS7 ... | 16797985 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 8391.0 | nM | 5.08 | Activity at PPARalpha 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 | 3 |
| 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