Compound Detail
CHEMBL3805587
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Basic Information
| ChEMBL ID | CHEMBL3805587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYBQWHIHPBOCKG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
-1.22
ALogP
4
HBA
3
HBD
96.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 4.42 | 4.42 | 37700.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 4.03 | 4.03 | 94200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 37700.0 | nM | 4.42 | Inhibition of recombinant human alanyl aminopeptidase M1 using Ala-AMC as substr... | 27100031 |
| Aminopeptidase N | Ki | = | 94200.0 | nM | 4.03 | Inhibition of pig kidney alanyl aminopeptidase M1 using Ala-AMC as substrate pre... | 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