Compound Detail
CHEMBL5291018
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Basic Information
| ChEMBL ID | CHEMBL5291018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYJLLRCXLMMGDE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.8
MW (Da)
4.33
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
EC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 54.0 | nM | 7.27 | Inverse agonist activity at human PPARgamma in human RT112/84 transfected with N... | 36542958 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 110.0 | nM | 6.96 | Inverse agonist activity at GST tagged human PPARgamma LBD (231 to 505 residues)... | 36542958 |
| Unchecked | IC50 | = | 4830.0 | nM | 5.32 | Antiproliferative activity against human UM-UC-9 assessed as inhibition of cell ... | 36542958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36542958 | 10.1016/j.bmc.2022.117130 | Peroxisome proliferator-activated receptor gamma | 4 |
| 36542958 | 10.1016/j.bmc.2022.117130 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine