Compound Detail
CHEMBL359377
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Basic Information
| ChEMBL ID | CHEMBL359377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNBBONUOVHBLSG-MHZLTWQESA-N |
1
Targets
4
Activities
2
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
EC50 2 meas. best 5.82
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.79 | 6.79 | 162.2 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.82 | 5.3 | 1513.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 162.18 | nM | 6.79 | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1513.56 | nM | 5.82 | Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 16595.87 | nM | 4.78 | Activation of peroxisome proliferator activated receptor gamma measured by induc... | 9836620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836620 | 10.1021/jm9804127 | Peroxisome proliferator-activated receptor gamma | 3 |
| 17482722 | 10.1016/j.ejmech.2007.03.004 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine