Compound Detail
CHEMBL252675
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Basic Information
| ChEMBL ID | CHEMBL252675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWKLSUCWQLUDME-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.9
MW (Da)
5.20
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 18824.0 | ng.hr.mL-1 | Mus musculus |
| CL | 0.78 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 9629.33 | nM | Mus musculus |
| F | 16.0 | % | Mus musculus |
| T1/2 | 4.9 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at human PPARalpha assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at mouse PPARalpha assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 600.0 | nM | 6.22 | Agonist activity at mouse PPARgamma assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at human PPARgamma assessed as receptor activation by cell base... | 18060776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Mus musculus | 10 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor alpha | 4 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor gamma | 4 |
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine