Compound Detail
CHEMBL4288513
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Basic Information
| ChEMBL ID | CHEMBL4288513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYHQSXAYPOAUNC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.15
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.56 | 5.56 | 2760.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.26 | 5.26 | 5490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1850.0 | nM | 5.73 | Agonist activity at human GAL4 fused PPARgamma-LBD expressed in HEK293 cells aft... | 30296685 |
| Free fatty acid receptor 1 | EC50 | = | 2760.0 | nM | 5.56 | Agonist activity at human FFA1 expressed in CHO cells assessed as increase in in... | 30296685 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 5490.0 | nM | 5.26 | Agonist activity at human GAL4 fused PPARdelta-LBD expressed in HEK293 cells aft... | 30296685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor delta | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor gamma | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor alpha | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine