Compound Detail
CHEMBL140459
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Basic Information
| ChEMBL ID | CHEMBL140459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGMZGZICZKFASN-KZUDCZAMSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
2.26
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase B CHEMBL2432 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Aminopeptidase B CHEMBL2452 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Aspartyl aminopeptidase CHEMBL2761 | Ki | 4.24 | 4.24 | 57000.0 | 1 |
| Leucyl-cystinyl aminopeptidase CHEMBL3712 | Ki | 4.24 | 4.17 | 57000.0 | 2 |
| Aminopeptidase N CHEMBL1907 | Ki | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase B | Ki | = | 170.0 | nM | 6.77 | Competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified fr... | 2566685 |
| Aminopeptidase B | Ki | = | 170.0 | nM | 6.77 | Compound was tested for binding affinity towards arginyl aminopeptidase | 1738140 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 57000.0 | nM | 4.24 | Competitive inhibition of leucine aminopeptidase; Ki value reporting the slope e... | 2566685 |
| Aspartyl aminopeptidase | Ki | = | 57000.0 | nM | 4.24 | Compound was tested for binding affinity towards cytosolic aminopeptidase | 1738140 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 79000.0 | nM | 4.1 | Non-competitive inhibition of aminopeptidase M or membrane leucine aminopeptidas... | 2566685 |
| Aminopeptidase N | Ki | = | 79000.0 | nM | 4.1 | Compound was tested for binding affinity towards microsomal aminopeptidase; Kis ... | 1738140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2566685 | 10.1021/jm00126a039 | Leucyl-cystinyl aminopeptidase | 3 |
| 1738140 | 10.1021/jm00081a005 | Aminopeptidase N | 2 |
| 2566685 | 10.1021/jm00126a039 | Aminopeptidase B | 1 |
| 1738140 | 10.1021/jm00081a005 | Aspartyl aminopeptidase | 1 |
| 1738140 | 10.1021/jm00081a005 | Aminopeptidase B | 1 |
Data from ChEMBL 36 via Core Engine