Compound Detail
CHEMBL441816
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Basic Information
| ChEMBL ID | CHEMBL441816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFGSNBMDCKODRM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-0.19
ALogP
3
HBA
4
HBD
83.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamyl aminopeptidase CHEMBL3439 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamyl aminopeptidase | Ki | = | 390.0 | nM | 6.41 | Inhibition of aminopeptidase A (APA) | 7915326 |
| Aminopeptidase N | Ki | = | 12000.0 | nM | 4.92 | Inhibitory potency was measured on aminopeptidase N (APN) | 7915326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7915326 | 10.1021/jm00044a016 | Glutamyl aminopeptidase | 1 |
| 7915326 | 10.1021/jm00044a016 | Aminopeptidase N | 1 |
| 9719598 | 10.1021/jm981015z | Tetanus toxin | 1 |
Data from ChEMBL 36 via Core Engine