Compound Detail
CHEMBL78529
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Basic Information
| ChEMBL ID | CHEMBL78529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWZALNZYZAMBJL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
6.13
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.54
EC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.12 | 7.12 | 75.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.54 | 6.54 | 285.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 6.33 | 6.33 | 473.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 5.29 | 5.29 | 5074.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 75.0 | nM | 7.12 | Transcriptional activation of reporter assay by human Peroxisome proliferator ac... | 15115385 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 285.0 | nM | 6.54 | Transcriptional activation of reporter assay by PPAR gamma receptor in CV-1 cell... | 15115385 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 290.0 | nM | 6.54 | Displacement of PPARgamma agonist from human PPAR gamma receptor | 15115385 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 473.0 | nM | 6.33 | Displacement of PPAR-alpha/delta agonist from human Peroxisome proliferator acti... | 15115385 |
| Peroxisome proliferator-activated receptor delta | IC50 | = | 5074.0 | nM | 5.29 | Displacement of PPAR-alpha/delta agonist from human Peroxisome proliferator acti... | 15115385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115385 | 10.1021/jm0342616 | Peroxisome proliferator-activated receptor alpha | 2 |
| 15115385 | 10.1021/jm0342616 | Peroxisome proliferator-activated receptor gamma | 2 |
| 15115385 | 10.1021/jm0342616 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine