Compound Detail
CHEMBL1085795
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Basic Information
| ChEMBL ID | CHEMBL1085795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLAPRRPHWILKIM-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
6
PK Parameters
6
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
4.78
ALogP
5
HBA
2
HBD
92.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL2458 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 370.0 | ng.hr.mL-1 | Mus musculus |
| CL | 89.17 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 710258.8 | nM | Mus musculus |
| F | 20.0 | % | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
| Tmax | 0.5 | 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 | = | 20.0 | nM | 7.7 | Agonist activity at Gal4-fused human PPARalpha | 20452212 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at Gal4-fused mouse PPARalpha | 20452212 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 300.0 | nM | 6.52 | Agonist activity at Gal4-fused mouse PPARgamma | 20452212 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at Gal4-fused human PPARgamma | 20452212 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2000.0 | nM | 5.7 | Agonist activity at Gal4-fused mouse PPARdelta | 20452212 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 6000.0 | nM | 5.22 | Agonist activity at Gal4-fused human PPARdelta | 20452212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20452212 | 10.1016/j.bmcl.2010.04.019 | Mus musculus | 12 |
| 20452212 | 10.1016/j.bmcl.2010.04.019 | Peroxisome proliferator-activated receptor alpha | 2 |
| 20452212 | 10.1016/j.bmcl.2010.04.019 | Peroxisome proliferator-activated receptor gamma | 2 |
| 20452212 | 10.1016/j.bmcl.2010.04.019 | Peroxisome proliferator-activated receptor delta | 2 |
| 20452212 | 10.1016/j.bmcl.2010.04.019 | Albumin | 1 |
| 20452212 | 10.1016/j.bmcl.2010.04.019 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine