Compound Detail
CHEMBL252995
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COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL252995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVIKEWAIJWFFBW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
4.99
ALogP
7
HBA
0
HBD
82.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.82
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.82 | 6.82 | 152.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 152.0 | nM | 6.82 | Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay rela... | 18255290 |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]Rosiglitazone from human PPARgamma | 18255290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18255290 | 10.1016/j.bmcl.2008.01.067 | Peroxisome proliferator-activated receptor gamma | 2 |
| 18255290 | 10.1016/j.bmcl.2008.01.067 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine