Compound Detail
CHEMBL25915
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Basic Information
| ChEMBL ID | CHEMBL25915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNMKSFFRXJBIQK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
1.18
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamyl aminopeptidase CHEMBL3439 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 5.14 | 5.14 | 7300.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamyl aminopeptidase | Ki | = | 2700.0 | nM | 5.57 | Inhibition of aminopeptidase A (APA) | 7909847 |
| Aminopeptidase N | Ki | = | 7300.0 | nM | 5.14 | Inhibition of aminopeptidase N (APN) | 7909847 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | In vitro inhibitory potency was tested against botulinum neurotoxin/B (BoNT/B) e... | 14561084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7909847 | 10.1021/jm00035a014 | Glutamyl aminopeptidase | 1 |
| 7909847 | 10.1021/jm00035a014 | Aminopeptidase N | 1 |
| 9719598 | 10.1021/jm981015z | Tetanus toxin | 1 |
| 14561084 | 10.1021/jm0300680 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine