Compound Detail
CHEMBL4240338
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Basic Information
| ChEMBL ID | CHEMBL4240338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGCSLARSZZNHJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
6.17
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 5100.0 | nM | 5.29 | Agonist activity at human PPARalpha after 22 to 24 hrs by luciferase reporter ge... | 29628329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29628329 | 10.1016/j.bmcl.2018.03.010 | Peroxisome proliferator-activated receptor alpha | 2 |
| 29628329 | 10.1016/j.bmcl.2018.03.010 | Peroxisome proliferator-activated receptor delta | 1 |
| 29628329 | 10.1016/j.bmcl.2018.03.010 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine