Compound Detail
CHEMBL4848052
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
Cc1cc(COc2ccc3c(c2)O/C(=C\c2ccc(C#N)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4848052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPHDGIZKLYZNKF-MXAYSNPKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
5.61
ALogP
6
HBA
1
HBD
105.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.35 | 5.35 | 4440.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.05 | 5.05 | 8940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 4440.0 | nM | 5.35 | Agonist activity at human Gal4 fused PPARalpha LBD expressed in COS-7 cells incu... | 33784603 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 8940.0 | nM | 5.05 | Agonist activity at human Gal4 fused PPARdelta LBD expressed in COS-7 cells incu... | 33784603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33784603 | 10.1016/j.ejmech.2021.113388 | Peroxisome proliferator-activated receptor alpha | 1 |
| 33784603 | 10.1016/j.ejmech.2021.113388 | Peroxisome proliferator-activated receptor delta | 1 |
| 33784603 | 10.1016/j.ejmech.2021.113388 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine