Compound Detail
CHEMBL5188426
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Basic Information
| ChEMBL ID | CHEMBL5188426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYAPZOACBBPGKH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
5.06
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.15
Ki 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Mesenchymal stem cells CHEMBL5058627 | EC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.87 | 4.705 | 13600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 1700.0 | nM | 5.77 | Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant b... | 34922307 |
| Mesenchymal stem cells | EC50 | = | 7100.0 | nM | 5.15 | Induction of adiponectin synthesis in human differentiated BMMSC cells measured ... | 34922307 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 13600.0 | nM | 4.87 | Agonist activity at PPARgamma (unknown origin) assessed as increase in fluoresce... | 34922307 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 28800.0 | nM | 4.54 | Agonist activity at PPARgamma (unknown origin) assessed as increase in fluoresce... | 34922307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34922307 | 10.1016/j.bmc.2021.116564 | Mesenchymal stem cells | 7 |
| 34922307 | 10.1016/j.bmc.2021.116564 | Peroxisome proliferator-activated receptor gamma | 7 |
| 34922307 | 10.1016/j.bmc.2021.116564 | Estrogen receptor beta | 1 |
| 34922307 | 10.1016/j.bmc.2021.116564 | Peroxisome proliferator-activated receptor alpha | 1 |
| 34922307 | 10.1016/j.bmc.2021.116564 | Peroxisome proliferator-activated receptor delta | 1 |
| 34922307 | 10.1016/j.bmc.2021.116564 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine