Compound Detail
CHEMBL3355108
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Basic Information
| ChEMBL ID | CHEMBL3355108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGZYJUYHRXGJNP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.58
ALogP
4
HBA
4
HBD
126.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Cytosol aminopeptidase CHEMBL5624 | Ki | 6.71 | 6.71 | 195.0 | 1 |
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | Ki | 4.73 | 4.73 | 18600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 2.1 | nM | 8.68 | Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by mor... | 25192493 |
| Unchecked | Ki | = | 12.0 | nM | 7.92 | Inhibition of Neisseria meningitidis recombinant alanyl aminopeptidase after 30 ... | 25192493 |
| Aminopeptidase N | Ki | = | 17.0 | nM | 7.77 | Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morri... | 25192493 |
| Cytosol aminopeptidase | Ki | = | 195.0 | nM | 6.71 | Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morr... | 25192493 |
| Endoplasmic reticulum aminopeptidase 1 | Ki | = | 18600.0 | nM | 4.73 | Inhibition of human ERAP1 preincubated for 30 to 60 mins followed by addition of... | 27390066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25192493 | 10.1021/jm501071f | Aminopeptidase N | 2 |
| 25192493 | 10.1021/jm501071f | Unchecked | 1 |
| 25192493 | 10.1021/jm501071f | Cytosol aminopeptidase | 1 |
| 27390066 | 10.1016/j.bmcl.2016.06.062 | Endoplasmic reticulum aminopeptidase 2 | 1 |
| 27390066 | 10.1016/j.bmcl.2016.06.062 | Endoplasmic reticulum aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine