Compound Detail
CHEMBL210372
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Basic Information
| ChEMBL ID | CHEMBL210372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYKLOADJOATWHQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
6.04
ALogP
4
HBA
2
HBD
93.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3500.0 | nM | 5.46 | Agonist activity at human recombinant PPARalpha by transactivation of TK-MH100x4... | 16617018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Peroxisome proliferator-activated receptor alpha | 2 |
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Bile acid receptor | 1 |
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Vitamin D3 receptor | 1 |
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Peroxisome proliferator-activated receptor gamma | 1 |
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Peroxisome proliferator-activated receptor delta | 1 |
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Oxysterols receptor LXR-alpha | 1 |
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Retinoic acid receptor alpha | 1 |
| 16617018 | 10.1016/j.bmcl.2006.03.075 | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine