Compound Detail
CHEMBL485942
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 | CHEMBL485942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXWNDVRUEDVCRD-RHNCMZPLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.59
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2500.0 | nM | 5.6 | Agonist activity at human PPARalpha ligand binding domain expressed in human Hep... | 18805005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805005 | 10.1016/j.bmcl.2008.08.112 | Mus musculus | 1 |
| 18805005 | 10.1016/j.bmcl.2008.08.112 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18805005 | 10.1016/j.bmcl.2008.08.112 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine