Compound Detail
CHEMBL4449760
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Basic Information
| ChEMBL ID | CHEMBL4449760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIYVSEMGWXQRLD-OCEACIFDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.97
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 250.0 | nM | 6.6 | Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cell... | 30996794 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2800.0 | nM | 5.55 | Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cell... | 30996794 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 6000.0 | nM | 5.22 | Transactivation of GAL4-tagged human PPARgamma LBD expressed in human HepG2 cell... | 30996794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Peroxisome proliferator-activated receptor alpha | 3 |
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Peroxisome proliferator-activated receptor delta | 3 |
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Peroxisome proliferator-activated receptor gamma | 3 |
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Liver | 1 |
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Cortex | 1 |
Data from ChEMBL 36 via Core Engine