Compound Detail
CHEMBL2030543
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Basic Information
| ChEMBL ID | CHEMBL2030543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOQICXJZZWXQDG-SDNWHVSQSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
282.8
MW (Da)
4.47
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL2458 | IC50 | 7.28 | 7.015 | 52.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 176.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 1.267 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | IC50 | = | 52.0 | nM | 7.28 | Inverse agonist activity at PPARbeta/delta in mouse C2C12 cells assessed as inhi... | 22369181 |
| Peroxisome proliferator-activated receptor delta | IC50 | = | 180.0 | nM | 6.75 | Displacement of fluormone Pan-PPAR Green from mouse recombinant GST-tagged PPARb... | 22369181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22369181 | 10.1021/jm2017122 | Peroxisome proliferator-activated receptor delta | 6 |
| 22369181 | 10.1021/jm2017122 | Mus musculus | 3 |
| 22369181 | 10.1021/jm2017122 | Peroxisome proliferator-activated receptor alpha | 2 |
| 22369181 | 10.1021/jm2017122 | Peroxisome proliferator-activated receptor gamma | 2 |
| 22369181 | 10.1021/jm2017122 | Blood | 1 |
Data from ChEMBL 36 via Core Engine