Compound Detail
CHEMBL190334
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Basic Information
| ChEMBL ID | CHEMBL190334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGOMNGUCMIYNTA-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.0
MW (Da)
5.94
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.7
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL2847 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.82 | 7.21 | 15.0 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2.0 | nM | 8.7 | Effective concentration against canine PPAR-alpha in Gal4 transactivation assay | 16107159 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | In vitro binding affinity for PPAR-alpha | 16107159 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 15.0 | nM | 7.82 | Effective concentration against human PPAR-alpha in Gal4 transactivation assay | 16107159 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 250.0 | nM | 6.6 | Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay | 16107159 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 5600.0 | nM | 5.25 | In vitro binding affinity for PPAR-gamma | 16107159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor alpha | 3 |
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor gamma | 2 |
| 16107159 | 10.1021/jm050373g | Unchecked | 1 |
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine