Compound Detail
CHEMBL461409
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Basic Information
| ChEMBL ID | CHEMBL461409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SABFOCWZUFNJNB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
5.41
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 30000.0 | nM | 4.52 | Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to ... | 30702885 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 30000.0 | nM | 4.52 | Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to ... | 30702885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18710209 | 10.1021/jm800588x | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Retinoic acid receptor RXR-alpha | 2 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Retinoic acid receptor RXR-beta | 2 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Retinoic acid receptor RXR-gamma | 2 |
| 19053751 | 10.1021/jm801085s | Prostaglandin E synthase | 1 |
| 19053751 | 10.1021/jm801085s | Prostaglandin G/H synthase 1 | 1 |
| 19053751 | 10.1021/jm801085s | Prostaglandin G/H synthase 2 | 1 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Peroxisome proliferator-activated receptor alpha | 1 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Peroxisome proliferator-activated receptor gamma | 1 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Peroxisome proliferator-activated receptor delta | 1 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine