Compound Detail
CHEMBL147042
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Basic Information
| ChEMBL ID | CHEMBL147042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJWVXKXONHTZHU-MHZLTWQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
5.60
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 1258.93 | nM | 5.9 | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... | 9836620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836620 | 10.1021/jm9804127 | Peroxisome proliferator-activated receptor gamma | 2 |
| 17482722 | 10.1016/j.ejmech.2007.03.004 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine