Compound Detail
CHEMBL477323
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Basic Information
| ChEMBL ID | CHEMBL477323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBGMBWWOCFYKFE-QHCPKHFHSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.97
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.32
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.32 | 6.32 | 480.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 6.27 | 6.27 | 536.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 480.0 | nM | 6.32 | Agonist activity at human PPARgamma expressed in HepG2 cells by GAL4 transactiva... | 18394907 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 536.0 | nM | 6.27 | Agonist activity at mouse PPARgamma by chimeric transactivation assay | 18394907 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 1600.0 | nM | 5.8 | Displacement of [3H]darglitazone from human PPARgamma by scintillation proximity... | 18394907 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 1900.0 | nM | 5.72 | Displacement of [3H2]nTZD4 from human PPARalpha by scintillation proximity assay | 18394907 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2300.0 | nM | 5.64 | 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 | 4 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Peroxisome proliferator-activated receptor alpha | 4 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Peroxisome proliferator-activated receptor delta | 1 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Mus musculus | 1 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine