Compound Detail
CHEMBL410704
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Basic Information
| ChEMBL ID | CHEMBL410704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZUDVENDSUODSU-GGYDESQDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
4.27
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 7.0 | 7.0 | 100.0 | 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 | = | 10.0 | nM | 8.0 | Agonist activity at human PPARalpha expressed in CV1 cells by transactivation as... | 17964792 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at mouse PPARalpha expressed in CV1 cells by transactivation as... | 17964792 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at mouse PPARgamma expressed in CV1 cells by transactivation as... | 17964792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17964792 | 10.1016/j.bmc.2007.10.007 | Mus musculus | 4 |
| 17964792 | 10.1016/j.bmc.2007.10.007 | Peroxisome proliferator-activated receptor alpha | 2 |
| 17964792 | 10.1016/j.bmc.2007.10.007 | Peroxisome proliferator-activated receptor gamma | 2 |
| 17964792 | 10.1016/j.bmc.2007.10.007 | Peroxisome proliferator-activated receptor delta | 1 |
| 17964792 | 10.1016/j.bmc.2007.10.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine