Compound Detail
CHEMBL5208754
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Basic Information
| ChEMBL ID | CHEMBL5208754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTTGPBZQHVWCOV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.8
MW (Da)
5.33
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 6800.0 | nM | 5.17 | Agonist activity at human FFA1 expressed in CHO cells measured by FLIPR assay | 34954593 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 10800.0 | nM | 4.97 | Agonist activity at human PPARalpha measured by dual luciferase reporter gene as... | 34954593 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 20800.0 | nM | 4.68 | Agonist activity at human PPARdelta measured by dual luciferase reporter gene as... | 34954593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34954593 | 10.1016/j.ejmech.2021.114061 | Peroxisome proliferator-activated receptor gamma | 1 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | Free fatty acid receptor 1 | 1 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | Peroxisome proliferator-activated receptor alpha | 1 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine