Compound Detail
CHEMBL4064900
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Basic Information
| ChEMBL ID | CHEMBL4064900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMPJUJWJRZHLGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
5.36
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.41 | 7.41 | 39.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 39.0 | nM | 7.41 | Transactivation of GAL4-fused human PPARalpa LBD expressed in human HepG2 cells ... | 28076827 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 290.0 | nM | 6.54 | Transactivation of GAL4-fused human PPARgamma LBD expressed in human HepG2 cells... | 28076827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28076827 | 10.1016/j.ejmech.2016.12.047 | Peroxisome proliferator-activated receptor alpha | 2 |
| 28076827 | 10.1016/j.ejmech.2016.12.047 | Peroxisome proliferator-activated receptor gamma | 2 |
| 28076827 | 10.1016/j.ejmech.2016.12.047 | Peroxisome proliferator-activated receptor delta | 1 |
| 28076827 | 10.1016/j.ejmech.2016.12.047 | Bile acid receptor | 1 |
| 28076827 | 10.1016/j.ejmech.2016.12.047 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine