Compound Detail
CHEMBL1090521
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COc1cc(O)c2c(c1C(=O)NCc1ccccc1)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1090521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLJMJMNOTDIFTH-XMMPIXPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
2.85
ALogP
7
HBA
3
HBD
122.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at PPARgamma assessed as transcriptional activation | 20219371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219371 | 10.1016/j.bmcl.2010.02.073 | Mus musculus | 3 |
| 20219371 | 10.1016/j.bmcl.2010.02.073 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine