Compound Detail
CHEMBL194411
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Basic Information
| ChEMBL ID | CHEMBL194411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEXSIUKPEDTXMV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
5.27
ALogP
6
HBA
1
HBD
71.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | Kd | 5.12 | 5.12 | 7500.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Kd | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | Kd | = | 7500.0 | nM | 5.12 | Binding affinity towards peroxisome proliferator activated receptor alpha | 16220969 |
| Peroxisome proliferator-activated receptor gamma | Kd | = | 9800.0 | nM | 5.01 | Binding affinity towards peroxisome proliferator activated receptor gamma | 16220969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220969 | 10.1021/jm058225d | Peroxisome proliferator-activated receptor alpha | 1 |
| 16220969 | 10.1021/jm058225d | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine