Compound Detail
CHEMBL140779
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Basic Information
| ChEMBL ID | CHEMBL140779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMFZPDYJEBDCBD-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
1.09
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase B CHEMBL2432 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase B | Ki | = | 6500.0 | nM | 5.19 | Compound was tested for binding affinity towards arginyl aminopeptidase | 1738140 |
| Aminopeptidase N | Ki | = | 18000.0 | nM | 4.75 | Compound was tested for binding affinity towards microsomal aminopeptidase | 1738140 |
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 |
Data from ChEMBL 36 via Core Engine