Compound Detail
CHEMBL1782884
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N[C@H]1CCCCCC[C@@H](C(=O)NCc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1782884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WESKKZCOSAUWJU-VABKMULXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
1.90
ALogP
5
HBA
5
HBD
133.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL2693 | Ki | 6.71 | 6.71 | 193.0 | 1 |
| Aminopeptidase N CHEMBL1907 | Ki | 5.08 | 5.08 | 8345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | Ki | = | 193.0 | nM | 6.71 | Inhibition of catalytic activity of recombinant human IRAP transfected in human ... | 21476495 |
| Aminopeptidase N | Ki | = | 8345.0 | nM | 5.08 | Inhibition of catalytic activity of recombinant human AP-N transfected in human ... | 21476495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21476495 | 10.1021/jm200036n | Leucyl-cystinyl aminopeptidase | 1 |
| 21476495 | 10.1021/jm200036n | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine