Compound Detail
CHEMBL3355106
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Basic Information
| ChEMBL ID | CHEMBL3355106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXZZIOOVCGCZRP-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.51
ALogP
4
HBA
3
HBD
113.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Cytosol aminopeptidase CHEMBL5624 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| Endoplasmic reticulum aminopeptidase 2 CHEMBL5043 | Ki | 6.62 | 6.62 | 241.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.53 | 6.53 | 294.0 | 1 |
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | Ki | 5.59 | 5.59 | 2540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 1.3 | nM | 8.89 | Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by mor... | 25192493 |
| Aminopeptidase N | Ki | = | 23.0 | nM | 7.64 | Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morri... | 25192493 |
| Cytosol aminopeptidase | Ki | = | 39.0 | nM | 7.41 | Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morr... | 25192493 |
| Endoplasmic reticulum aminopeptidase 2 | Ki | = | 241.0 | nM | 6.62 | Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of... | 27390066 |
| Unchecked | Ki | = | 294.0 | nM | 6.53 | Inhibition of Neisseria meningitidis recombinant alanyl aminopeptidase after 30 ... | 25192493 |
| Endoplasmic reticulum aminopeptidase 1 | Ki | = | 2540.0 | nM | 5.59 | 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