Compound Detail
CHEMBL201832
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Basic Information
| ChEMBL ID | CHEMBL201832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJONLXVNIVHKMN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.44
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | 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 | = | 20.0 | nM | 7.7 | Agonist activity at PPARalpha transfected in HEK293 cells | 16275077 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 500.0 | nM | 6.3 | Agonist activity at PPARgamma transfected in HEK293 cells | 16275077 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at PPARdelta transfected in HEK293 cells | 16275077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16275077 | 10.1016/j.bmcl.2005.10.049 | Peroxisome proliferator-activated receptor alpha | 1 |
| 16275077 | 10.1016/j.bmcl.2005.10.049 | Peroxisome proliferator-activated receptor delta | 1 |
| 16275077 | 10.1016/j.bmcl.2005.10.049 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine