Compound Detail
CHEMBL404467
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Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL404467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTQQAGVCNYLJKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
6.18
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human PPARalpha assessed as receptor activation by cell base... | 18060776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor alpha | 3 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor delta | 2 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine