Compound Detail
CHEMBL2282520
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COC(=O)c1ccccc1[C@@](O)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2282520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDUYGALTOGKKFB-LJAQVGFWSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
4.57
ALogP
7
HBA
2
HBD
119.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 9.15 | 9.15 | 0.7 | 2 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.46 | 5.46 | 3467.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 0.7079 | nM | 9.15 | Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain ... | - |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 0.71 | nM | 9.15 | Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain ... | - |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3467.37 | nM | 5.46 | Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain ... | - |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3500.0 | nM | 5.46 | Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0003-4 | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.1007/s00044-012-0003-4 | Peroxisome proliferator-activated receptor alpha | 2 |
| - | 10.1007/s00044-012-0003-4 | PPAR alpha/gamma | 1 |
Data from ChEMBL 36 via Core Engine