Compound Detail
CHEMBL403909
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Basic Information
| ChEMBL ID | CHEMBL403909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMNQOAZYICYSHQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
5.18
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 70.0 | nM | 7.16 | Agonist activity at human PPARalpha assessed as receptor activation by cell base... | 18060776 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at mouse PPARalpha assessed as receptor activation by cell base... | 18060776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18060776 | 10.1016/j.bmcl.2007.11.053 | Peroxisome proliferator-activated receptor alpha | 4 |
Data from ChEMBL 36 via Core Engine