Compound Detail
CHEMBL427890
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Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(NS(=O)(=O)CC(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL427890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCEAPYBAZUFDTD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
537.5
MW (Da)
5.37
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human PPARalpha assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 60.0 | nM | 7.22 | Agonist activity at mouse PPARalpha assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 300.0 | nM | 6.52 | Agonist activity at human PPARgamma assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 300.0 | nM | 6.52 | Agonist activity at mouse PPARgamma 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 | 4 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor gamma | 4 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine