Compound Detail
CHEMBL3318040
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Basic Information
| ChEMBL ID | CHEMBL3318040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJNZOEDPQZEKCO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.0
MW (Da)
7.18
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.82 | 6.685 | 150.0 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.63 | 5.63 | 2360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 150.0 | nM | 6.82 | Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7... | 25022880 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 280.0 | nM | 6.55 | Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after ... | 25022880 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2360.0 | nM | 5.63 | 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 | 4 |
| 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