Compound Detail
CHEMBL3597446
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Basic Information
| ChEMBL ID | CHEMBL3597446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJZCJMONPZOZNB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3598183 |
| Active Moiety | CHEMBL3598183 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.65
ALogP
4
HBA
1
HBD
86.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Bacterial leucyl aminopeptidase CHEMBL3750 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Cytosol aminopeptidase CHEMBL3965 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 55.0 | nM | 7.26 | Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release ... | 25982416 |
| Cytosol aminopeptidase | Ki | = | 30000.0 | nM | 4.52 | Inhibition of cytosolic leucine aminopeptidase (unknown origin) | 25982416 |
| Bacterial leucyl aminopeptidase | Ki | = | 30000.0 | nM | 4.52 | Inhibition of aeromonas proteolytica aminopeptidase | 25982416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25982416 | 10.1016/j.bmc.2015.04.066 | Cytosol aminopeptidase | 2 |
| 25982416 | 10.1016/j.bmc.2015.04.066 | Aminopeptidase N | 1 |
| 25982416 | 10.1016/j.bmc.2015.04.066 | Bacterial leucyl aminopeptidase | 1 |
| 25982416 | 10.1016/j.bmc.2015.04.066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine