Compound Detail
CHEMBL189116
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Basic Information
| ChEMBL ID | CHEMBL189116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKJSCTKQOKFGSG-KRWDZBQOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.49
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.05 | 6.05 | 900.0 | 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 | = | 0.15 | nM | 9.82 | Effective concentration against murine PPARalpha in transactivation assay | 16107150 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 900.0 | nM | 6.05 | Effective concentration against human PPARalpha expressed in HepG2 cells | 16107150 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1600.0 | nM | 5.8 | Effective concentration against human PPARgamma expressed in HepG2 cells | 16107150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107150 | 10.1021/jm0502844 | Peroxisome proliferator-activated receptor alpha | 4 |
| 16107150 | 10.1021/jm0502844 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine