Compound Detail
CHEMBL5185420
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Basic Information
| ChEMBL ID | CHEMBL5185420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGKJALQUHAMQNR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.0
MW (Da)
5.26
ALogP
5
HBA
1
HBD
62.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.58 | 6.58 | 263.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL2458 | EC50 | 5.97 | 5.97 | 1060.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.65 | 5.65 | 2220.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.59 | 5.59 | 2580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 263.0 | nM | 6.58 | Transactivation of Gal4-fused human PPARdelta expressed in CHO cells co expressi... | 35063634 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1060.0 | nM | 5.97 | Transactivation of Gal4-fused mouse PPARdelta expressed in CHO cells co expressi... | 35063634 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2220.0 | nM | 5.65 | Transactivation of Gal4-fused human PPARalpha expressed in CHO cells co expressi... | 35063634 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2580.0 | nM | 5.59 | Transactivation of Gal4-fused human PPARgamma 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 | 4 |
| 35063634 | 10.1016/j.bmcl.2022.128567 | Peroxisome proliferator-activated receptor alpha | 2 |
| 35063634 | 10.1016/j.bmcl.2022.128567 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine