Compound Detail
CHEMBL3806121
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Basic Information
| ChEMBL ID | CHEMBL3806121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCYLOQJVEOHSGI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
140.1
MW (Da)
-1.59
ALogP
3
HBA
4
HBD
109.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.23 | 6.23 | 589.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 5.54 | 5.13 | 2880.0 | 2 |
| Aminopeptidase N CHEMBL1907 | Ki | 4.97 | 4.97 | 10600.0 | 1 |
| Endoplasmic reticulum aminopeptidase 2 CHEMBL5043 | Ki | 4.77 | 4.77 | 16900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 589.0 | nM | 6.23 | Inhibition of recombinant Neisseria meningitidis N-terminal His6-tagged alanyl a... | 27100031 |
| Aminopeptidase N | Ki | = | 2880.0 | nM | 5.54 | Inhibition of pig kidney alanyl aminopeptidase M1 using Ala-AMC as substrate pre... | 27100031 |
| Aminopeptidase N | Ki | = | 10600.0 | nM | 4.97 | Inhibition of recombinant human alanyl aminopeptidase M1 using Ala-AMC as substr... | 27100031 |
| Endoplasmic reticulum aminopeptidase 2 | Ki | = | 16900.0 | nM | 4.77 | Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of... | 27390066 |
| Aminopeptidase N | Ki | = | 19000.0 | nM | 4.72 | Inhibition of pig kidney alanyl aminopeptidase M1 using L-leucine p-nitro-anilid... | 27100031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27100031 | 10.1016/j.ejmech.2016.04.018 | Aminopeptidase N | 3 |
| 27100031 | 10.1016/j.ejmech.2016.04.018 | Unchecked | 3 |
| 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