Compound Detail
CHEMBL134414
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Basic Information
| ChEMBL ID | CHEMBL134414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEDGWGRBYGQEIJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
-1.09
ALogP
6
HBA
6
HBD
179.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 6.05 | 5.4933 | 900.0 | 3 |
| Cytosol aminopeptidase CHEMBL3965 | Ki | 5.91 | 5.91 | 1240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 900.0 | nM | 6.05 | Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M... | 6142952 |
| Aminopeptidase N | Ki | = | 940.0 | nM | 6.03 | Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) and the inh... | 6142952 |
| Cytosol aminopeptidase | Ki | = | 1240.0 | nM | 5.91 | Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhi... | 6142952 |
| Aminopeptidase N | Ki | = | 40000.0 | nM | 4.4 | Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M... | 6142952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6142952 | 10.1021/jm00370a001 | Aminopeptidase N | 3 |
| 6142952 | 10.1021/jm00370a001 | Cytosol aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine