Compound Detail
CHEMBL4245047
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Basic Information
| ChEMBL ID | CHEMBL4245047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIJSTRADXCZEDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
5.23
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.60
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 830.0 | nM | 6.08 | Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assess... | 32096640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32096640 | 10.1021/acs.jmedchem.9b01189 | Peroxisome proliferator-activated receptor alpha | 3 |
| 29628329 | 10.1016/j.bmcl.2018.03.010 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine