Compound Detail
CHEMBL4063269
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Basic Information
| ChEMBL ID | CHEMBL4063269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPYWIJSTUVGWQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.2
MW (Da)
5.22
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxylic ester hydrolase CHEMBL4105977 | IC50 | 7.47 | 7.47 | 34.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxylic ester hydrolase | IC50 | = | 34.15 | nM | 7.47 | Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as su... | 28117203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28117203 | 10.1016/j.bmcl.2017.01.020 | Carboxylic ester hydrolase | 6 |
Data from ChEMBL 36 via Core Engine