Compound Detail
CHEMBL3318036
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Basic Information
| ChEMBL ID | CHEMBL3318036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YENRXHUCHIMRDZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
4.79
ALogP
6
HBA
3
HBD
87.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 12000.0 | nM | 4.92 | Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after ... | 25022880 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 12400.0 | nM | 4.91 | Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by ... | 25022880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25022880 | 10.1016/j.bmcl.2014.05.058 | Peroxisome proliferator-activated receptor alpha | 2 |
| 25022880 | 10.1016/j.bmcl.2014.05.058 | Peroxisome proliferator-activated receptor gamma | 2 |
| 25022880 | 10.1016/j.bmcl.2014.05.058 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine