Compound Detail
CHEMBL380837
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Basic Information
| ChEMBL ID | CHEMBL380837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCLRDDFYVYAFHG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.9
MW (Da)
6.36
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.68 | 7.56 | 21.0 | 2 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.65 | 5.65 | 2230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 21.0 | nM | 7.68 | Transactivation by human PPAR alpha in COS1 cells | 16384704 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 36.0 | nM | 7.44 | Binding affinity to human PPAR alpha | 16384704 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2230.0 | nM | 5.65 | Binding affinity to human PPAR delta | 16384704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16384704 | 10.1016/j.bmcl.2005.12.022 | Peroxisome proliferator-activated receptor alpha | 2 |
| 16384704 | 10.1016/j.bmcl.2005.12.022 | Peroxisome proliferator-activated receptor delta | 2 |
| 16384704 | 10.1016/j.bmcl.2005.12.022 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine