Compound Detail
CHEMBL5080431
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Cc1cc(Cn2ncn(-c3ccc(S(C)(=O)=O)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5080431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVCDFQBGIFGUEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
2.34
ALogP
8
HBA
1
HBD
120.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.34 | 5.34 | 4572.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 4572.0 | nM | 5.34 | Agonist activity at PPARalpha (unknown origin) | 35060744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor alpha | 2 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor delta | 1 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine