Compound Detail
CHEMBL398737
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CCCCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1
Basic Information
| ChEMBL ID | CHEMBL398737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIUYKLSDFIWNAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.7
MW (Da)
7.90
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL2129 | EC50 | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1030.0 | nM | 5.99 | Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction | 18029176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18029176 | 10.1016/j.bmcl.2007.10.041 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine