Compound Detail
CHEMBL3805495
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Basic Information
| ChEMBL ID | CHEMBL3805495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGTZMRSSJSALMZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
2.33
ALogP
5
HBA
4
HBD
121.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 7.11 | 7.11 | 78.0 | 1 |
| Endoplasmic reticulum aminopeptidase 2 CHEMBL5043 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 5.83 | 5.83 | 1480.0 | 1 |
| Cytosol aminopeptidase CHEMBL5624 | Ki | 4.68 | 4.68 | 21100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.4 | 4.4 | 39500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 78.0 | nM | 7.11 | Inhibition of recombinant human alanyl aminopeptidase M1 using Ala-AMC as substr... | 27100031 |
| Endoplasmic reticulum aminopeptidase 2 | Ki | = | 1300.0 | nM | 5.89 | Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of... | 27390066 |
| Aminopeptidase N | Ki | = | 1480.0 | nM | 5.83 | Inhibition of pig kidney alanyl aminopeptidase M1 using Ala-AMC as substrate pre... | 27100031 |
| Cytosol aminopeptidase | Ki | = | 21100.0 | nM | 4.68 | Inhibition of porcine kidney leucine aminopeptidase M17 using Leu-AMC as substra... | 27100031 |
| Unchecked | Ki | = | 39500.0 | nM | 4.4 | Inhibition of recombinant Neisseria meningitidis N-terminal His6-tagged alanyl a... | 27100031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27100031 | 10.1016/j.ejmech.2016.04.018 | Aminopeptidase N | 2 |
| 27100031 | 10.1016/j.ejmech.2016.04.018 | Unchecked | 1 |
| 27100031 | 10.1016/j.ejmech.2016.04.018 | Cytosol aminopeptidase | 1 |
| 27390066 | 10.1016/j.bmcl.2016.06.062 | Endoplasmic reticulum aminopeptidase 1 | 1 |
| 27390066 | 10.1016/j.bmcl.2016.06.062 | Endoplasmic reticulum aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine