Compound Detail
CHEMBL449099
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Basic Information
| ChEMBL ID | CHEMBL449099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLXIMBPJRCEXKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.8
MW (Da)
3.72
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.36 | 5.36 | 4360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2810.0 | nM | 5.55 | Agonist activity at human PPARalpha ligand binding domain expressed in human Hep... | 18835719 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 4360.0 | nM | 5.36 | Agonist activity at human PPARgamma ligand binding domain expressed in human Hep... | 18835719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835719 | 10.1016/j.bmc.2008.09.045 | Peroxisome proliferator-activated receptor gamma | 2 |
| 18835719 | 10.1016/j.bmc.2008.09.045 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine