Compound Detail
CHEMBL309130
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Basic Information
| ChEMBL ID | CHEMBL309130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WABAJXKDQWZIOJ-KGLIPLIRSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
1.08
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl aminopeptidase CHEMBL2761 | Ki | 6.29 | 6.29 | 510.0 | 1 |
| Cytosol aminopeptidase CHEMBL3965 | Ki | 6.29 | 6.29 | 510.0 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Aminopeptidase B CHEMBL2432 | Ki | 4.41 | 4.41 | 39000.0 | 1 |
| Aminopeptidase B CHEMBL2452 | Ki | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl aminopeptidase | Ki | = | 510.0 | nM | 6.29 | Compound was tested for binding affinity towards cytosolic aminopeptidase | 1738140 |
| Cytosol aminopeptidase | Ki | = | 510.0 | nM | 6.29 | Inhibitory activity against Leucine aminopeptidase | 3184126 |
| Aminopeptidase N | Ki | = | 20000.0 | nM | 4.7 | Compound was tested for binding affinity towards microsomal aminopeptidase | 1738140 |
| Aminopeptidase N | Ki | = | 20000.0 | nM | 4.7 | Inhibitory activity against Aminopeptidase M | 3184126 |
| Aminopeptidase B | Ki | = | 39000.0 | nM | 4.41 | Compound was tested for binding affinity towards arginyl aminopeptidase | 1738140 |
| Aminopeptidase B | Ki | = | 39000.0 | nM | 4.41 | Inhibitory activity against aminopeptidase B | 3184126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738140 | 10.1021/jm00081a005 | Aspartyl aminopeptidase | 1 |
| 1738140 | 10.1021/jm00081a005 | Aminopeptidase N | 1 |
| 1738140 | 10.1021/jm00081a005 | Aminopeptidase B | 1 |
| 3184126 | 10.1021/jm00119a022 | Aminopeptidase N | 1 |
| 3184126 | 10.1021/jm00119a022 | Cytosol aminopeptidase | 1 |
| 3184126 | 10.1021/jm00119a022 | Aminopeptidase B | 1 |
Data from ChEMBL 36 via Core Engine