Compound Detail
CHEMBL3976442
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Basic Information
| ChEMBL ID | CHEMBL3976442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYKMVJDPCICIAZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
4.12
ALogP
6
HBA
1
HBD
109.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.28 | 5.28 | 5248.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 6.0 | nM | 8.22 | Kinase Activity Assay: After 24 h treatment with the medicament, the cells were ... | - |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 22.0 | nM | 7.66 | Kinase Activity Assay: After 24 h treatment with the medicament, the cells were ... | - |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5248.0 | nM | 5.28 | Kinase Activity Assay: After 24 h treatment with the medicament, the cells were ... | - |
Data from ChEMBL 36 via Core Engine