Compound Detail
CHEMBL40614
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Basic Information
| ChEMBL ID | CHEMBL40614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRQBQZNVLNJRQR-UXBLZVDNSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
6.12
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.7
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 20.0 | nM | 7.7 | Maximum transcriptional activation of human PPAR delta receptor | 12699745 |
| Peroxisome proliferator-activated receptor delta | IC50 | = | 1000.0 | nM | 6.0 | Binding affinity for human PPAR delta receptor | 12699745 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2700.0 | nM | 5.57 | Maximum transcriptional activation of human PPAR gamma receptor | 12699745 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3200.0 | nM | 5.5 | Maximum transcriptional activation of human PPAR alpha receptor | 12699745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699745 | 10.1016/s0960-894x(03)00207-5 | Peroxisome proliferator-activated receptor delta | 2 |
| 12699745 | 10.1016/s0960-894x(03)00207-5 | Peroxisome proliferator-activated receptor alpha | 1 |
| 12699745 | 10.1016/s0960-894x(03)00207-5 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine