Compound Detail
CHEMBL190645
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Basic Information
| ChEMBL ID | CHEMBL190645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQVCFJZTNNIPMH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
4.60
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.21
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.21 | 6.21 | 620.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 620.0 | nM | 6.21 | Effective concentration against human Peroxisome proliferator activated receptor... | 15801817 |
| Peroxisome proliferator-activated receptor alpha | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of human Peroxisome proliferator activated receptor alpha binding | 15801817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801817 | 10.1021/jm048993p | Peroxisome proliferator-activated receptor alpha | 2 |
| 15801817 | 10.1021/jm048993p | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine