Compound Detail
CHEMBL2204596
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Basic Information
| ChEMBL ID | CHEMBL2204596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAVWDSNIJIBJLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
5.70
ALogP
7
HBA
1
HBD
98.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 9.0 | nM | 8.05 | Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by... | 23084275 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 180.0 | nM | 6.75 | Agonist activity at GAL4-fused PPARgamma assessed as transcriptional activity by... | 23084275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23084275 | 10.1016/j.bmcl.2012.09.092 | Peroxisome proliferator-activated receptor gamma | 1 |
| 23084275 | 10.1016/j.bmcl.2012.09.092 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine