Compound Detail
CHEMBL5201306
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Basic Information
| ChEMBL ID | CHEMBL5201306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDWYUAHXLFZWBU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
407.8
MW (Da)
5.62
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
EC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.18 | 5.18 | 6640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 5.2 | nM | 8.28 | Inverse agonist activity at PPARgamma LBD (unknown origin) assessed as recruitme... | 36270630 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 195.0 | nM | 6.71 | Inverse agonist activity at PPARgamma in human RT112/84-FABP4 cells assessed as ... | 36270630 |
| Unchecked | IC50 | = | 6640.0 | nM | 5.18 | Antiproliferative activity against human UM-UC-9 cells measured after 7 days by ... | 36270630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Peroxisome proliferator-activated receptor gamma | 4 |
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine