Compound Detail
CHEMBL190368
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Basic Information
| ChEMBL ID | CHEMBL190368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDFFIFRBPUFLPS-INIZCTEOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.96
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.91 | 4.91 | 12302.7 | 2 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.87 | 4.87 | 13489.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 12400.0 | nM | 4.91 | Effective concentration against human PPARgamma expressed in HepG2 cells | 16107150 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 12302.69 | nM | 4.91 | Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human Hep... | 23502212 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 13500.0 | nM | 4.87 | Effective concentration against human PPARalpha expressed in HepG2 cells | 16107150 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 13489.63 | nM | 4.87 | 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