Compound Detail
CHEMBL5197145
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Basic Information
| ChEMBL ID | CHEMBL5197145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKMNGIDEPKJFPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
5.70
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 10800.0 | nM | 4.97 | Agonist activity at human PPARdelta measured by dual luciferase reporter gene as... | 34954593 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 15600.0 | nM | 4.81 | Agonist activity at human PPARalpha 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