Compound Detail
CHEMBL2069934
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Basic Information
| ChEMBL ID | CHEMBL2069934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNICUWMFWZBIFP-YUKZMVOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.86
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Kd | = | 2000.0 | nM | 5.7 | Binding affinity to PPARgamma | 22260081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22260081 | 10.1021/jm101360s | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine