Compound Detail
CHEMBL1643196
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Basic Information
| ChEMBL ID | CHEMBL1643196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEIDRJCIGVPEET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
4.81
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
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 delta CHEMBL3979 | 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 delta | EC50 | = | 2500.0 | nM | 5.6 | Agonist activity at Gal4-fused human PPARdelta DNA binding domain expressed in H... | 21094606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor delta | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine