Compound Detail
CHEMBL400024
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Basic Information
| ChEMBL ID | CHEMBL400024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKCDMDXQGXHXPW-GOSISDBHSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
5.93
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.6
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.64 | 5.64 | 2270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | IC50 | = | 12.0 | nM | 7.92 | Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phe... | 17129725 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 25.0 | nM | 7.6 | Agonist activity at human Gal4-PPARdelta expressed in CV1 cells by transactivati... | 17129725 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 1530.0 | nM | 5.82 | Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl... | 17129725 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2270.0 | nM | 5.64 | Agonist activity at PPARgamma in CV1 cells by transactivation assay | 17129725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17129725 | 10.1016/j.bmcl.2006.11.029 | Peroxisome proliferator-activated receptor alpha | 2 |
| 17129725 | 10.1016/j.bmcl.2006.11.029 | Peroxisome proliferator-activated receptor gamma | 2 |
| 17129725 | 10.1016/j.bmcl.2006.11.029 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine