Compound Detail
CHEMBL5184830
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Basic Information
| ChEMBL ID | CHEMBL5184830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOPLKIJUQZDDKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
4.68
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.49 | 5.49 | 3240.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.49 | 5.49 | 3240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 3240.0 | nM | 5.49 | Agonist activity at human FFA1 expressed in CHO cells assessed as increase in ca... | 35051813 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3240.0 | nM | 5.49 | Agonist activity at pBIND tagged human PPARdelta expressed in human HepG2 cells ... | 35051813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35051813 | 10.1016/j.bmc.2022.116615 | Peroxisome proliferator-activated receptor gamma | 1 |
| 35051813 | 10.1016/j.bmc.2022.116615 | Free fatty acid receptor 1 | 1 |
| 35051813 | 10.1016/j.bmc.2022.116615 | Peroxisome proliferator-activated receptor alpha | 1 |
| 35051813 | 10.1016/j.bmc.2022.116615 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine