Compound Detail
CHEMBL193459
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Basic Information
| ChEMBL ID | CHEMBL193459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCBSMBVOWOVEBM-NRFANRHFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
4.64
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.89
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL2847 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.64 | 6.64 | 231.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 130.0 | nM | 6.89 | Effective concentration against canine PPAR-alpha in Gal4 transactivation assay | 16107159 |
| Unchecked | IC50 | = | 231.0 | nM | 6.64 | In vitro binding affinity for PPAR-alpha | 16107159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor alpha | 3 |
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor gamma | 2 |
| 16107159 | 10.1021/jm050373g | Unchecked | 1 |
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine