Compound Detail
CHEMBL603612
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Basic Information
| ChEMBL ID | CHEMBL603612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZVUSQZMCWMVEM-LRHXISMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.81
ALogP
6
HBA
1
HBD
89.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at human full length PPARalpha expressed in human HepG2 cells c... | 20022492 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1600.0 | nM | 5.8 | 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 gamma | 2 |
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Peroxisome proliferator-activated receptor alpha | 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