Compound Detail
CHEMBL3601099
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 | CHEMBL3601099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGBDJBQHHKZURZ-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.72
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.01 | 6.01 | 981.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 981.0 | nM | 6.01 | Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs... | 26226490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26226490 | 10.1021/acs.jmedchem.5b00849 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine