Compound Detail
CHEMBL284228
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CC(C)CCNC(=O)[C@@H](NC(=O)[C@H](CC(=O)[C@@H](N)CC(C)C)Cc1ccccc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL284228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZUXJQWIIVGFJI-FIXSFTCYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
3.48
ALogP
4
HBA
3
HBD
101.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase CHEMBL3712 | Ki | 5.08 | 4.84 | 8300.0 | 2 |
| Aminopeptidase B CHEMBL2452 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucyl-cystinyl aminopeptidase | Ki | = | 8300.0 | nM | 5.08 | Competitive inhibition of aminopeptidase M or membrane leucine aminopeptidase; K... | 2566685 |
| Leucyl-cystinyl aminopeptidase | Ki | = | 25000.0 | nM | 4.6 | Competitive inhibition of leucine aminopeptidase; Ki value reporting the slope e... | 2566685 |
| Aminopeptidase B | Ki | = | 36000.0 | nM | 4.44 | Competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified fr... | 2566685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2566685 | 10.1021/jm00126a039 | Leucyl-cystinyl aminopeptidase | 2 |
| 2566685 | 10.1021/jm00126a039 | Aminopeptidase B | 1 |
Data from ChEMBL 36 via Core Engine