Compound Detail
CHEMBL4276781
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Basic Information
| ChEMBL ID | CHEMBL4276781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNTFJPOCGUBOIF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.8
MW (Da)
4.14
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.77 | 5.77 | 1690.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.67 | 5.67 | 2160.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.51 | 5.51 | 3070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1690.0 | nM | 5.77 | Agonist activity at human GAL4 fused PPARgamma-LBD expressed in HEK293 cells aft... | 30296685 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2160.0 | nM | 5.67 | Agonist activity at human GAL4 fused PPARdelta-LBD expressed in HEK293 cells aft... | 30296685 |
| Free fatty acid receptor 1 | EC50 | = | 3070.0 | nM | 5.51 | Agonist activity at human FFA1 expressed in CHO cells assessed as increase in in... | 30296685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor delta | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor gamma | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Free fatty acid receptor 1 | 1 |
| 30296685 | 10.1016/j.ejmech.2018.09.071 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine