Compound Detail
CHEMBL370054
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Basic Information
| ChEMBL ID | CHEMBL370054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDFXMBSWSUAUQD-HNNXBMFYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.25
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.59 | 4.59 | 25700.0 | 2 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.54 | 4.54 | 28700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 25700.0 | nM | 4.59 | Effective concentration against human PPARgamma expressed in HepG2 cells | 16107150 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 25703.96 | nM | 4.59 | Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human Hep... | 23502212 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 28700.0 | nM | 4.54 | Effective concentration against human PPARalpha expressed in HepG2 cells | 16107150 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 28840.32 | nM | 4.54 | Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human Hep... | 23502212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107150 | 10.1021/jm0502844 | Peroxisome proliferator-activated receptor alpha | 2 |
| 16107150 | 10.1021/jm0502844 | Peroxisome proliferator-activated receptor gamma | 2 |
| 23502212 | 10.1016/j.ejmech.2013.02.015 | Peroxisome proliferator-activated receptor gamma | 1 |
| 23502212 | 10.1016/j.ejmech.2013.02.015 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine