Compound Detail
CHEMBL233177
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Basic Information
| ChEMBL ID | CHEMBL233177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQQUYERLSYUAIA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
6.41
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 6.17 | 6.17 | 672.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | IC50 | = | 76.0 | nM | 7.12 | Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy... | 17498950 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 530.0 | nM | 6.28 | Agonist activity at human PPARdelta expressed in HepG2 cells after 16 hrs by luc... | 17498950 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 672.0 | nM | 6.17 | Displacement of [3H]2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenoxy... | 17498950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17498950 | 10.1016/j.bmcl.2007.04.046 | Peroxisome proliferator-activated receptor delta | 2 |
| 17498950 | 10.1016/j.bmcl.2007.04.046 | Unchecked | 1 |
| 17498950 | 10.1016/j.bmcl.2007.04.046 | Peroxisome proliferator-activated receptor alpha | 1 |
| 17498950 | 10.1016/j.bmcl.2007.04.046 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine