Compound Detail
CHEMBL265551
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Cc1ccc(=O)n(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL265551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMEJFULZHZIJTL-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
3.97
ALogP
7
HBA
2
HBD
110.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.88 | 6.88 | 131.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 131.83 | nM | 6.88 | Inhibition by 50% of in vitro binding to Peroxisome proliferator activated recep... | 9836621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836621 | 10.1021/jm980413z | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine