Compound Detail
CHEMBL2088421
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Basic Information
| ChEMBL ID | CHEMBL2088421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANZROICTIIFGKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
7.48
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 0.28 | nM | 9.55 | Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-D... | 22939697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22939697 | 10.1016/j.bmcl.2012.08.010 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine