Compound Detail
CHEMBL3354987
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Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1
Basic Information
| ChEMBL ID | CHEMBL3354987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWPIODBMAVXTEP-RGVLZGJSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
4.77
ALogP
6
HBA
2
HBD
116.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 0.16 | nM | 9.8 | Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin)... | 25491112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25491112 | 10.1016/j.bmcl.2014.11.052 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine