Compound Detail
CHEMBL5172001
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Basic Information
| ChEMBL ID | CHEMBL5172001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVMCWSZIRUWEBS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
5.28
ALogP
6
HBA
1
HBD
98.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.1 | 5.1 | 7950.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.03 | 5.03 | 9350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 7950.0 | nM | 5.1 | Inverse agonist activity at PPARgamma LBD (unknown origin) assessed as recruitme... | 36270630 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 9350.0 | nM | 5.03 | Inverse agonist activity at PPARgamma in human RT112/84-FABP4 cells assessed as ... | 36270630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Peroxisome proliferator-activated receptor gamma | 4 |
Data from ChEMBL 36 via Core Engine