Compound Detail
CHEMBL482334
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Basic Information
| ChEMBL ID | CHEMBL482334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTBSHNBPENRZHH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.96
ALogP
6
HBA
1
HBD
102.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 44.0 | nM | 7.36 | Agonist activity at human PPARalpha transactivation expressed in human HePG2 cel... | 18976908 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 560.0 | nM | 6.25 | Agonist activity at human PPARgamma transactivation expressed in human HePG2 cel... | 18976908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Peroxisome proliferator-activated receptor delta | 1 |
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Peroxisome proliferator-activated receptor gamma | 1 |
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine