Compound Detail
CHEMBL212023
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL212023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLVMSBDGHFKFGT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
6.82
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.28
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.28 | 7.28 | 52.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.38 | 6.38 | 417.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.01 | 6.01 | 968.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | IC50 | = | 9.0 | nM | 8.05 | Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phe... | 16970391 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 52.0 | nM | 7.28 | Transactivation of human PPARdelta in CV1 cells by luciferase reporter gene assa... | 16970391 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 417.0 | nM | 6.38 | Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfony... | 16970391 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 968.0 | nM | 6.01 | Transactivation of human PPARgamma in CV1 cells by luciferase reporter gene assa... | 16970391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970391 | 10.1021/jm060617c | Peroxisome proliferator-activated receptor alpha | 4 |
| 16970391 | 10.1021/jm060617c | Peroxisome proliferator-activated receptor gamma | 2 |
| 16970391 | 10.1021/jm060617c | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine