Compound Detail
CHEMBL478334
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Basic Information
| ChEMBL ID | CHEMBL478334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPJVYLQOALFBLJ-XMMPIXPASA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.50
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.64
IC50 2 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.84 | 5.84 | 1430.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 1430.0 | nM | 5.84 | Displacement of [3H2]nTZD4 from human PPARalpha by scintillation proximity assay | 18394907 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2300.0 | nM | 5.64 | Agonist activity at human PPARgamma expressed in HepG2 cells by GAL4 transactiva... | 18394907 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 3100.0 | nM | 5.51 | Displacement of [3H]darglitazone from human PPARgamma by scintillation proximity... | 18394907 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5000.0 | nM | 5.3 | Agonist activity at human PPARalpha expressed in HepG2 cells by GAL4 transactiva... | 18394907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18394907 | 10.1016/j.bmc.2008.03.043 | Peroxisome proliferator-activated receptor gamma | 3 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Peroxisome proliferator-activated receptor alpha | 3 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine