Compound Detail
CHEMBL268513
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Basic Information
| ChEMBL ID | CHEMBL268513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTUCGDFKCLFWOU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.41
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.15
Ki 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.41 | 5.41 | 3890.4 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.15 | 5.15 | 7079.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 3890.45 | nM | 5.41 | Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR ... | 10612594 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 7079.46 | nM | 5.15 | Transcriptional activation of peroxisome proliferator activated receptor gamma | 10612594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612594 | 10.1016/s0960-894x(99)00603-4 | Peroxisome proliferator-activated receptor gamma | 2 |
| 10612594 | 10.1016/s0960-894x(99)00603-4 | Peroxisome proliferator-activated receptor alpha | 1 |
| 10612594 | 10.1016/s0960-894x(99)00603-4 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine