Compound Detail
CHEMBL165539
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Basic Information
| ChEMBL ID | CHEMBL165539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKYNRYCTBTZMRP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.21
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.92 | 4.92 | 12100.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 12100.0 | nM | 4.92 | In vitro transactivation using receptor transactivation assay against hPPAR gamm... | 11831892 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 12500.0 | nM | 4.9 | In vitro transactivation using receptor transactivation assay against hPPAR alph... | 11831892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831892 | 10.1021/jm010964g | Peroxisome proliferator-activated receptor alpha | 2 |
| 11831892 | 10.1021/jm010964g | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine