Compound Detail
CHEMBL5075561
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Basic Information
| ChEMBL ID | CHEMBL5075561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMNPFYSBCBJSHJ-RQZHXJHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
6.27
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at Gal4-fused human PPARalpha LBD transfected in HEK293T cells ... | 34213899 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3800.0 | nM | 5.42 | Agonist activity at Gal4-fused human PPARdelta LBD transfected in HEK293T cells ... | 34213899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor delta | 2 |
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor alpha | 2 |
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine