Compound Detail
CHEMBL225017
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Basic Information
| ChEMBL ID | CHEMBL225017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKQSISYCYNVSDW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
516.2
MW (Da)
6.74
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L6 CHEMBL614793 | EC50 | 6.21 | 6.21 | 615.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.23 | 5.23 | 5900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 27.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 98.79 | nM | Rattus norvegicus |
| F | 407.0 | % | Rattus norvegicus |
| T1/2 | 15.88 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L6 | EC50 | = | 615.0 | nM | 6.21 | Effect on fatty acid oxidation in rat L6 cells | 17343371 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 5900.0 | nM | 5.23 | Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 tra... | 17343371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17343371 | 10.1021/jm061202u | Rattus norvegicus | 5 |
| 17343371 | 10.1021/jm061202u | Peroxisome proliferator-activated receptor delta | 3 |
| 17343371 | 10.1021/jm061202u | L6 | 2 |
| 17343371 | 10.1021/jm061202u | Peroxisome proliferator-activated receptor alpha | 1 |
| 17343371 | 10.1021/jm061202u | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine