Compound Detail
CHEMBL1927473
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Basic Information
| ChEMBL ID | CHEMBL1927473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHNGEGAQWSRCBH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
6.50
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.43 | 8.43 | 3.7 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.26 | 7.26 | 55.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3.7 | nM | 8.43 | Induction of [14C]oleic acid oxidation in a human myotubes after 4 days by beta ... | 22051054 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 55.0 | nM | 7.26 | Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cel... | 22051054 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 560.0 | nM | 6.25 | Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cel... | 22051054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22051054 | 10.1016/j.bmc.2011.10.020 | Unchecked | 1 |
| 22051054 | 10.1016/j.bmc.2011.10.020 | Peroxisome proliferator-activated receptor alpha | 1 |
| 22051054 | 10.1016/j.bmc.2011.10.020 | Peroxisome proliferator-activated receptor gamma | 1 |
| 22051054 | 10.1016/j.bmc.2011.10.020 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine