Compound Detail
CHEMBL447533
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Basic Information
| ChEMBL ID | CHEMBL447533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXIZKFYYHVTHFH-NBEIKUQISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.22
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 30.0 | nM | 7.52 | Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactiva... | 18280733 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at mouse PPARalpha by transactivation assay | 18280733 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactiva... | 18280733 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at mouse PPARgamma by transactivation assay | 18280733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Mus musculus | 4 |
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Peroxisome proliferator-activated receptor alpha | 2 |
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Peroxisome proliferator-activated receptor gamma | 2 |
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine