Compound Detail
CHEMBL427701
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Basic Information
| ChEMBL ID | CHEMBL427701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPCOVXRHNOWSPC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
6.16
ALogP
6
HBA
1
HBD
85.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay | 17553678 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 110.0 | nM | 6.96 | Agonist activity at human recombinant PPARdelta by GAL4 transactivation assay | 17553678 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay | 17553678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17553678 | 10.1016/j.bmcl.2007.05.066 | Peroxisome proliferator-activated receptor alpha | 1 |
| 17553678 | 10.1016/j.bmcl.2007.05.066 | Peroxisome proliferator-activated receptor gamma | 1 |
| 17553678 | 10.1016/j.bmcl.2007.05.066 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine