Compound Detail
CHEMBL390199
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Basic Information
| ChEMBL ID | CHEMBL390199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWBVIUDQBHYATP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
5.91
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.82 | 7.82 | 15.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 15.2 | nM | 7.82 | Agonist activity at human PPARdelta receptor by cell based transactivation assay | 17524639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor delta | 2 |
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor gamma | 1 |
| 17524639 | 10.1016/j.bmcl.2007.05.007 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine