Compound Detail
CHEMBL192500
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Basic Information
| ChEMBL ID | CHEMBL192500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYEWQWZFTYOTGP-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
6.27
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
EC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.1 | 7.55 | 8.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.51 | 5.51 | 3110.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 5.28 | 5.28 | 5230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 8.0 | nM | 8.1 | Effective concentration against human PPAR-alpha in Gal4 transactivation assay | 16107159 |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | In vitro binding affinity for PPAR-alpha | 16107159 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 100.0 | nM | 7.0 | Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay | 16107159 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 3110.0 | nM | 5.51 | In vitro binding affinity for PPAR-gamma | 16107159 |
| Peroxisome proliferator-activated receptor delta | IC50 | = | 5230.0 | nM | 5.28 | In vitro binding affinity for PPAR-delta | 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