Compound Detail
CHEMBL5087538
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 | CHEMBL5087538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMTMRPQOYKGHHI-RQZHXJHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
6.27
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 240.0 | nM | 6.62 | Agonist activity at Gal4-fused human PPARalpha LBD transfected in HEK293T cells ... | 34213899 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1700.0 | nM | 5.77 | Agonist activity at Gal4-fused human PPARgamma LBD transfected in HEK293T cells ... | 34213899 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity at Gal4-fused human PPARdelta LBD transfected in HEK293T cells ... | 34213899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor alpha | 5 |
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor delta | 3 |
| 34213899 | 10.1021/acs.jmedchem.1c00810 | Peroxisome proliferator-activated receptor gamma | 2 |
| 34213899 | 10.1021/acs.jmedchem.1c00810 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine