Compound Detail
CHEMBL5199948
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Basic Information
| ChEMBL ID | CHEMBL5199948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOMQDHLEVLBENQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.63
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.21 | 6.21 | 610.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.51 | 5.51 | 3120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 610.0 | nM | 6.21 | Agonist activity at human FFA1 expressed in CHO cells assessed as increase in ca... | 35051813 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3120.0 | nM | 5.51 | 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