Compound Detail
CHEMBL1565327
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Basic Information
| ChEMBL ID | CHEMBL1565327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVEMFXOLQBHHKA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
297.7
MW (Da)
4.56
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.6 | 4.44 | 25000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 25000.0 | nM | 4.6 | Agonist activity at PPARalpha (unknown origin) expressed in reporter combo cells... | 29628329 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 52400.0 | nM | 4.28 | 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 | 3 |
| 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 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine