Compound Detail
CHEMBL5183133
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Basic Information
| ChEMBL ID | CHEMBL5183133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSDWIBHREUDPME-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.0
MW (Da)
5.82
ALogP
5
HBA
1
HBD
62.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL2458 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 120.0 | nM | 6.92 | Transactivation of Gal4-fused human PPARdelta expressed in CHO cells co expressi... | 35063634 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 330.0 | nM | 6.48 | Transactivation of Gal4-fused mouse PPARdelta expressed in CHO cells co expressi... | 35063634 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 680.0 | nM | 6.17 | Transactivation of Gal4-fused human PPARgamma expressed in CHO cells co expressi... | 35063634 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 3600.0 | nM | 5.44 | Transactivation of Gal4-fused human PPARalpha expressed in CHO cells co expressi... | 35063634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35063634 | 10.1016/j.bmcl.2022.128567 | Peroxisome proliferator-activated receptor delta | 2 |
| 35063634 | 10.1016/j.bmcl.2022.128567 | Peroxisome proliferator-activated receptor alpha | 1 |
| 35063634 | 10.1016/j.bmcl.2022.128567 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine