Compound Detail
CHEMBL1808555
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Basic Information
| ChEMBL ID | CHEMBL1808555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUXZKZCYIPMAJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.1
MW (Da)
5.89
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.3 | 4.3 | 50600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 50600.0 | nM | 4.3 | Agonist activity at PPARalpha ligand binding domain expressed in HEK293 cells co... | 21742490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21742490 | 10.1016/j.bmcl.2011.06.028 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine