Compound Detail
CHEMBL591055
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Basic Information
| ChEMBL ID | CHEMBL591055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTKJKYNPWCDJDE-QLQAMPCKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.63
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 50.0 | nM | 7.3 | Agonist activity at human full length PPARalpha expressed in human HepG2 cells c... | 20022492 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at human full length PPARgamma expressed in human HepG2 cells c... | 20022492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Peroxisome proliferator-activated receptor alpha | 2 |
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Peroxisome proliferator-activated receptor gamma | 2 |
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Mus musculus | 1 |
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine