Compound Detail
CHEMBL4859886
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Basic Information
| ChEMBL ID | CHEMBL4859886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOAMZIIOWWHTSC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.1
MW (Da)
4.70
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of pig pancreatic lipase type 2 using p-nitrophenyl butyrate as subst... | 33646787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33646787 | 10.1021/acs.jnatprod.0c01387 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine