Compound Detail
CHEMBL479001
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Basic Information
| ChEMBL ID | CHEMBL479001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUFSAZSMSFQENI-YJJPMGAVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.90
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.31
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.31 | 6.31 | 492.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 492.0 | nM | 6.31 | Agonist activity at human PPARgamma expressed in HepG2 cells by GAL4 transactiva... | 18394907 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 12000.0 | nM | 4.92 | Displacement of [3H]darglitazone from human PPARgamma by scintillation proximity... | 18394907 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 29000.0 | nM | 4.54 | 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