Compound Detail
CHEMBL5220260
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 | CHEMBL5220260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEAFEAWABQVDLG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
5.09
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.82
Ki 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.18 | 5.18 | 6600.0 | 1 |
| Mesenchymal stem cells CHEMBL5058627 | EC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 6600.0 | nM | 5.18 | Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant b... | 36475432 |
| Mesenchymal stem cells | EC50 | = | 15200.0 | nM | 4.82 | Induction of adipogenesis in differentiated human BMMSC cells assessed as fold i... | 36475432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36475432 | 10.1021/acs.jnatprod.2c00791 | Peroxisome proliferator-activated receptor gamma | 5 |
| 36475432 | 10.1021/acs.jnatprod.2c00791 | Peroxisome proliferator-activated receptor alpha | 4 |
| 36475432 | 10.1021/acs.jnatprod.2c00791 | Peroxisome proliferator-activated receptor delta | 4 |
| 36475432 | 10.1021/acs.jnatprod.2c00791 | Mesenchymal stem cells | 3 |
| 37589086 | 10.1021/acs.jnatprod.3c00468 | RAW264.7 | 2 |
| 36475432 | 10.1021/acs.jnatprod.2c00791 | Retinoic acid receptor RXR-alpha | 1 |
| 36475432 | 10.1021/acs.jnatprod.2c00791 | Retinoic acid receptor RXR-beta | 1 |
| 36475432 | 10.1021/acs.jnatprod.2c00791 | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine