Compound Detail
CHEMBL104458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL104458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHUBFFUIONROOT-FQEVSTJZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.49
ALogP
5
HBA
2
HBD
84.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 2100.0 | nM | 5.68 | Binding affinity to human Peroxisome proliferator activated receptor gamma using... | 11720854 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 5000.0 | nM | 5.3 | Maximal reporter activity against human Peroxisome proliferator activated recept... | 11720854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11720854 | 10.1016/s0960-894x(01)00649-7 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine