Compound Detail
CHEMBL456768
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Basic Information
| ChEMBL ID | CHEMBL456768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPPDMRLSURBHGR-KPKJPENVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.85
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at PPARgamma expressed in human HCA7 cells assessed as inductio... | 18665581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18665581 | 10.1021/jm700969c | Peroxisome proliferator-activated receptor gamma | 2 |
| 18665581 | 10.1021/jm700969c | Prostaglandin G/H synthase 1 | 1 |
| 18665581 | 10.1021/jm700969c | Prostaglandin G/H synthase 2 | 1 |
| 22263894 | 10.1021/jm201528b | Prostaglandin G/H synthase 1 | 1 |
| 22263894 | 10.1021/jm201528b | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine